{"id":"W4297339151","doi":"10.1021/acs.jmedchem.2c00996","title":"Identification of Novel 2,4,5-Trisubstituted Pyrimidines as Potent Dual Inhibitors of Plasmodial <i>Pf</i> GSK3/ <i>Pf</i> PK6 with Activity against Blood Stage Parasites In Vitro","year":2022,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Signaling Pathways in Disease","field":"Biochemistry, Genetics and Molecular Biology","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Bayer; National Institute of Allergy and Infectious Diseases; Structural Genomics Consortium; Janssen Pharmaceuticals; Merck KGaA; Genome Canada; Genentech; Takeda Pharmaceutical Company; Bristol-Myers Squibb; Boehringer Ingelheim; National Institutes of Health; National Science Foundation","keywords":"Chemistry; IC50; In vitro; Kinase; Drug discovery; Pharmacology; EC50; Biochemistry; Biology","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007732814,0.0002161891,0.0004195917,0.00008532366,0.00006295249,0.000008871293,0.0003329035,0.0001234386,0.00001765006],"category_scores_gemma":[0.0004344573,0.0001980507,0.0001701086,0.0002658652,0.0002210053,0.000015167,0.0001205955,0.0004242686,1.454406e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006674062,"about_ca_system_score_gemma":0.0006573981,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001942967,"about_ca_topic_score_gemma":0.000001634742,"domain_scores_codex":[0.9977384,0.00006857081,0.0008210337,0.0002746672,0.0008621958,0.0002351376],"domain_scores_gemma":[0.9978597,0.00005922371,0.001331723,0.0002997683,0.0002865455,0.0001630235],"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":[0.00372973,0.001253034,0.002730321,0.0002233952,0.000170126,0.0001517372,0.00009649062,0.004588245,0.9866567,9.825553e-7,0.0001581702,0.0002411033],"study_design_scores_gemma":[0.003868624,0.0003974063,0.0004399402,0.0001141897,0.0001675649,0.0002941304,0.0004736019,0.00007679771,0.9938363,0.000004608594,0.0001499005,0.0001768953],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9983961,0.0007644669,0.0001541188,0.0001020065,0.0001819483,0.0001243467,0.0001820032,0.000004729333,0.00009027703],"genre_scores_gemma":[0.9992545,0.00005887384,0.0001436327,0.00005059109,0.0003260832,0.00001165942,0.00007535859,0.00002404569,0.00005527922],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007179676,"threshold_uncertainty_score":0.8076274,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009244600337672526,"score_gpt":0.2430039537320592,"score_spread":0.2337593533943867,"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."}}