{"id":"W3190987809","doi":"10.1021/acs.jmedchem.1c00440","title":"Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration","year":2021,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Histone Deacetylase Inhibitors Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of Diabetes and Digestive and Kidney Diseases; National Institute on Aging; Novartis Pharma; Office of Strategic Coordination; Genentech; National Institutes of Health; Ontario Ministry of Economic Development and Innovation; European Federation of Pharmaceutical Industries and Associations; Merck KGaA; Fundação de Amparo à Pesquisa do Estado de São Paulo; Genome Canada; Pfizer; ALS Association; Wellcome Trust; North Carolina Biotechnology Center; Ministero dello Sviluppo Economico; U.S. Department of Defense","keywords":"Kinome; Kinase; Pyrimidine; Chemistry; Lead compound; Drug discovery; Biochemistry; Small molecule; In vitro","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":[0.0002637143,0.0005946853,0.0005644977,0.0005883258,0.0002360545,0.0004315973,0.0004098108,0.0003118576,0.002662881],"category_scores_gemma":[0.0002443786,0.0001999936,0.0002545886,0.0004163742,0.0002199766,0.0002877967,0.0004613688,0.0007877136,0.000593479],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004173066,"about_ca_system_score_gemma":0.0005238391,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005537933,"about_ca_topic_score_gemma":0.003351431,"domain_scores_codex":[0.9998707,0.0000188376,0.00001009763,0.00003427314,0.00003346592,0.00003263403],"domain_scores_gemma":[0.9999026,0.00001328819,0.00002347294,0.00001058269,0.00002246844,0.00002764301],"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":[0.0005527917,0.0005052926,0.001232194,0.0005558839,0.00006943855,0.0007173544,0.0001223474,0.004423711,0.9384775,0.002564667,0.001125329,0.04965358],"study_design_scores_gemma":[0.000565112,0.007881105,0.004288617,0.0001422784,0.0002344947,0.001814467,0.0001082533,0.006436288,0.9403412,0.001355821,0.03676876,0.0000635985],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9296981,0.01563632,0.03255253,0.000633693,0.0001688153,0.001273635,0.002702098,0.0005204543,0.01681447],"genre_scores_gemma":[0.9662053,0.007694214,0.01642917,0.0003082391,0.00003079099,0.0002174339,0.001809836,0.00003804417,0.007267076],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002662881,"threshold_uncertainty_score":0.008908153,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02317298410696653,"score_gpt":0.31469386973615,"score_spread":0.2915208856291835,"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."}}