{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001355134,0.0003275187,0.0002635497,0.0001534333,0.00006584473,0.0001590039,0.0002483627,0.0001872521,0.001353326],"category_scores_gemma":[0.0001202061,0.0001295813,0.0001609921,0.0001299323,0.00009578065,0.0001454433,0.00009291696,0.0003704985,0.0003509347],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000189985,"about_ca_system_score_gemma":0.0001342743,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005044891,"about_ca_topic_score_gemma":0.001126238,"domain_scores_codex":[0.9999105,0.00001995248,0.000008659062,0.0000161426,0.00002226005,0.00002247292],"domain_scores_gemma":[0.9999413,0.00001548552,0.00001384632,0.000005233838,0.000008128367,0.00001597118],"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":[0.000420661,0.0001826207,0.0002301073,0.00005383308,0.00001416849,0.00007486874,0.00002229859,0.001362836,0.9932536,0.0001381219,0.00009036218,0.004156456],"study_design_scores_gemma":[0.0002027739,0.007015671,0.003633306,0.000007354579,0.00004629855,0.000432007,0.00001938736,0.004744562,0.9812039,0.00005885299,0.002618904,0.00001689397],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9950682,0.001516692,0.0009756221,0.00004579231,0.00001052347,0.00003654762,0.0002661495,0.00005433037,0.002026122],"genre_scores_gemma":[0.9952816,0.001139527,0.001403665,0.00003360413,0.000004974276,0.00002713935,0.0005228583,0.00001016445,0.001576438],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001353326,"threshold_uncertainty_score":0.00452733,"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."}}