{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002534517,0.0004714118,0.000377877,0.0002537053,0.0001438928,0.0002670158,0.0003701478,0.0002905866,0.003369591],"category_scores_gemma":[0.0001664327,0.000165567,0.0002433488,0.0002222283,0.000184753,0.0002833272,0.0002072652,0.0006585685,0.0006940637],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003439555,"about_ca_system_score_gemma":0.0003524096,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004579735,"about_ca_topic_score_gemma":0.001668702,"domain_scores_codex":[0.9999243,0.0000146846,0.000008338516,0.00001348186,0.00001611011,0.00002311861],"domain_scores_gemma":[0.9999363,0.000008808366,0.00001722127,0.000007822341,0.000009597678,0.00002025595],"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":[0.0009333191,0.0002391957,0.000275533,0.0003793864,0.00002944037,0.0002995101,0.00006352342,0.001393597,0.9612962,0.001661822,0.0007475045,0.03268102],"study_design_scores_gemma":[0.0007292004,0.008158867,0.002861762,0.00005819031,0.0001055226,0.001517267,0.00004718015,0.002705572,0.9570668,0.0006291695,0.02606896,0.00005157446],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9424531,0.01848803,0.0202888,0.0004164544,0.0002739906,0.0006648749,0.002226822,0.0003978056,0.01479015],"genre_scores_gemma":[0.9695859,0.007983814,0.0139815,0.000198553,0.00004304045,0.0001938507,0.001958162,0.0000299086,0.006025292],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003369591,"threshold_uncertainty_score":0.01127243,"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."}}