{"id":"W2286718346","doi":"10.1021/acs.jmedchem.5b01865","title":"Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor","year":2016,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":224,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; National Cancer Institute; National Institutes of Health; Ministero dello Sviluppo Economico; Österreichische Forschungsförderungsgesellschaft; Boehringer Ingelheim Fonds; Ontario Ministry of Economic Development and Innovation; Pershing Square Sohn Cancer Research Alliance; Wellcome Trust; Genome Canada; Boehringer Ingelheim; Pfizer; Eli Lilly and Company; Canadian Institutes of Health Research; Wellcome; Pershing Square Foundation; GlaxoSmithKline; Burroughs Wellcome Fund","keywords":"Chemistry; In vivo; Structure–activity relationship; Stereochemistry; Pharmacology; In vitro; Biochemistry","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":[0.0002938236,0.000124013,0.000212883,0.00005440891,0.00001656685,0.00000373348,0.0001821714,0.000166405,0.0001096412],"category_scores_gemma":[0.0004278742,0.00008235375,0.00006668751,0.0001044933,0.0001112376,0.00001268939,0.00001736961,0.0001558454,2.147398e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006229403,"about_ca_system_score_gemma":0.0003822131,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003476066,"about_ca_topic_score_gemma":0.000002352097,"domain_scores_codex":[0.9989643,0.00007406744,0.0003863556,0.0001484634,0.0002842486,0.000142551],"domain_scores_gemma":[0.9990246,0.00003698613,0.0004089531,0.0001453225,0.0002623237,0.000121812],"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":[0.0009672414,0.00007627306,0.0003386058,0.00002249382,0.00002692352,0.00001315946,0.00002844953,0.00004492614,0.9946885,8.615953e-7,0.000847057,0.002945552],"study_design_scores_gemma":[0.002041987,0.000674572,0.0003288215,0.0001688788,0.00001550313,0.00007906501,0.00009244142,0.00002052025,0.9957712,0.00008382992,0.0006242917,0.00009884129],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.995083,0.0001844378,0.004134164,0.0002117971,0.00008904755,0.00007858835,0.00001828672,0.000002169332,0.0001984926],"genre_scores_gemma":[0.9980338,0.00002492503,0.001216608,0.00007928558,0.0005397964,0.000001840682,0.000003728291,0.00001162936,0.00008833873],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002950831,"threshold_uncertainty_score":0.3358288,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00775703748647166,"score_gpt":0.2445047407153881,"score_spread":0.2367477032289164,"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."}}