{"id":"W2041814673","doi":"10.1021/jm501177w","title":"Structure–Activity Relationship of 3,5-Diaryl-2-aminopyridine ALK2 Inhibitors Reveals Unaltered Binding Affinity for Fibrodysplasia Ossificans Progressiva Causing Mutants","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Heterotopic Ossification and Related Conditions","field":"Medicine","cited_by":98,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institute of Arthritis and Musculoskeletal and Skin Diseases; Canadian Institutes of Health Research; Fondation Leducq; Ontario Ministry of Economic Development and Innovation; National Institute of Diabetes and Digestive and Kidney Diseases; National Heart, Lung, and Blood Institute; Harvard NeuroDiscovery Center; Diamond Light Source; Wellcome Trust; Pulmonary Hypertension Association; Howard Hughes Medical Institute","keywords":"Chemistry; Fibrodysplasia ossificans progressiva; Mutant; 2-Aminopyridine; Structure–activity relationship; Stereochemistry; Biochemistry; Medicinal chemistry; In vitro; Anatomy; Heterotopic ossification; Gene","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":[0.0008228671,0.000195087,0.0005741139,0.0001577961,0.0001534365,0.0000166493,0.0001209264,0.0002807429,0.0001526124],"category_scores_gemma":[0.002082788,0.0001511612,0.0002130836,0.0002656047,0.000204968,0.0001244452,0.00001758882,0.0007190459,9.209477e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001449362,"about_ca_system_score_gemma":0.0003097321,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002395159,"about_ca_topic_score_gemma":5.037937e-7,"domain_scores_codex":[0.9979993,0.0000781161,0.0009046122,0.0002264934,0.0005420185,0.0002494758],"domain_scores_gemma":[0.9972097,0.0004686396,0.001206935,0.0003371671,0.0004495639,0.0003279985],"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":[0.0003810168,0.0001922475,0.02207811,0.0008855353,0.0001737353,0.00004052837,0.0002628643,0.00001494979,0.9717114,0.0000420856,0.0007436608,0.003473884],"study_design_scores_gemma":[0.00453574,0.0005496106,0.06400961,0.002553045,0.0006358056,0.001815107,0.0004130632,0.0004128967,0.9236565,0.0004501693,0.0007475851,0.0002208866],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959983,0.0001278661,0.0009404526,0.001708044,0.000327689,0.0002995902,0.0000508146,0.00001869076,0.000528537],"genre_scores_gemma":[0.9974329,0.00001251135,0.0012466,0.00004222044,0.0008943423,0.000006256527,0.00003819455,0.00002187812,0.0003050969],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0480549,"threshold_uncertainty_score":0.6164174,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02998121340592402,"score_gpt":0.3124243704479293,"score_spread":0.2824431570420053,"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."}}