{"id":"W2981620099","doi":"10.1021/acsmedchemlett.9b00399","title":"SGC-AAK1-1: A Chemical Probe Targeting AAK1 and BMP2K","year":2019,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Peptidase Inhibition and Analysis","field":"Medicine","cited_by":52,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; Eshelman Institute for Innovation, University of North Carolina at Chapel Hill; National Institute of General Medical Sciences; Merck Sharp and Dohme; Innovative Medicines Initiative; Conselho Nacional de Desenvolvimento Científico e Tecnológico; AbbVie; Novartis Pharma; Canada Foundation for Innovation; Ministerio de Educación, Cultura y Deporte; Ontario Ministry of Economic Development and Innovation; Fundação de Amparo à Pesquisa do Estado de São Paulo; Genome Canada; Bayer; National Cancer Institute; Takeda Pharmaceutical Company; Janssen Pharmaceuticals; Merck KGaA; Wellcome Trust; North Carolina Biotechnology Center; Howard Hughes Medical Institute; Pfizer; Boehringer Ingelheim; National Institutes of Health; U.S. Department of Health and Human Services","keywords":"Kinome; Small molecule; Chemistry; Combinatorial chemistry; Chemical library; Yield (engineering); Computational biology; Chemical biology; Biochemistry; Biology; Kinase; Materials science","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002290787,0.0004995858,0.0003484541,0.0003118371,0.0002238238,0.0002289625,0.0003652459,0.0004383046,0.001358937],"category_scores_gemma":[0.0001496959,0.0001948429,0.0002145948,0.0002350753,0.0003174973,0.0002333638,0.000217871,0.001033466,0.0005488438],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006585559,"about_ca_system_score_gemma":0.000615657,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001149165,"about_ca_topic_score_gemma":0.003026475,"domain_scores_codex":[0.9998646,0.00001435055,0.000006883974,0.00002645393,0.00004226245,0.00004536738],"domain_scores_gemma":[0.9999241,0.00001066415,0.00001773315,0.000005726229,0.00001743347,0.00002435269],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000216303,0.00006331465,0.0001154751,0.00009613419,0.000008246726,0.0001081166,0.00003175182,0.0005729284,0.9915321,0.000589593,0.000303381,0.006362584],"study_design_scores_gemma":[0.00009912562,0.0007905844,0.0006486864,0.000005766904,0.00001608329,0.000348154,0.00001380884,0.001057399,0.9909502,0.00008852779,0.00596668,0.00001517847],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9267951,0.008945835,0.04914228,0.000910471,0.0001957422,0.0006002794,0.001356389,0.0005086141,0.01154523],"genre_scores_gemma":[0.9660496,0.00319809,0.02296462,0.0002073633,0.0000231546,0.0001747399,0.0008236328,0.00002829566,0.006530483],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001358937,"threshold_uncertainty_score":0.004778206,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00520163681051753,"score_gpt":0.2234067544181023,"score_spread":0.2182051176075847,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}