{"id":"W2083284090","doi":"10.1021/jm901543m","title":"Discovery of a 2,4-Diamino-7-aminoalkoxyquinazoline as a Potent and Selective Inhibitor of Histone Lysine Methyltransferase G9a","year":2009,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Epigenetics and DNA Methylation","field":"Biochemistry, Genetics and Molecular Biology","cited_by":237,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University of Toronto","funders":"National Institute of General Medical Sciences; National Institutes of Health","keywords":"Cocrystal; Chemistry; Small molecule; Methyltransferase; Lysine; Chromatin; Drug discovery; Histone; Biochemistry; Computational biology; Stereochemistry; Molecule; DNA; Amino acid; Methylation; Biology; Hydrogen bond","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000430347,0.0001552732,0.0004035765,0.00005880037,0.0000222813,0.000005467121,0.0001204057,0.0001520782,0.000006690621],"category_scores_gemma":[0.0002904628,0.0001292287,0.000145285,0.0001102768,0.0001414389,0.00000998316,0.0000210749,0.0001822946,8.560981e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000270675,"about_ca_system_score_gemma":0.0001875242,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001074252,"about_ca_topic_score_gemma":0.00000129027,"domain_scores_codex":[0.9986758,0.00003778607,0.0006304746,0.0001650779,0.0003496768,0.0001412103],"domain_scores_gemma":[0.998818,0.00003403245,0.0004927351,0.0001573619,0.0003840861,0.0001137154],"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":[0.000656079,0.0002167994,0.0004448051,0.0001048894,0.00008761266,0.00001952024,0.0001160254,0.00002462598,0.9935638,0.000005954193,0.00007944358,0.004680479],"study_design_scores_gemma":[0.001547093,0.001746864,0.003772691,0.000133028,0.000159513,0.0001360903,0.0001538982,0.00001143473,0.9916914,0.0002561829,0.0002798183,0.0001120034],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9847855,0.01206174,0.002228452,0.0003010584,0.00005971079,0.00006024413,0.00001207547,0.000001297373,0.0004899226],"genre_scores_gemma":[0.9970919,0.001517671,0.000696641,0.00005025865,0.0004207949,7.070103e-7,0.00001701267,0.000009769351,0.0001952279],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01230642,"threshold_uncertainty_score":0.5269794,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005727735756253822,"score_gpt":0.2877222165546643,"score_spread":0.2819944807984104,"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."}}