{"id":"W2887597537","doi":"10.1021/acs.jmedchem.8b01045","title":"Design, Synthesis, and Biological Evaluation of 3-(Imidazo[1,2-<i>a</i>]pyrazin-3-ylethynyl)-4-isopropyl-<i>N</i>-(3-((4-methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)benzamide as a Dual Inhibitor of Discoidin Domain Receptors 1 and 2","year":2018,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Cell Adhesion Molecules Research","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; Jinan University; National Natural Science Foundation of China; Wellcome Trust; Wellcome","keywords":"Chemistry; Benzamide; In vivo; Lead compound; DDR1; Kinase; Pharmacology; Discoidin domain; In vitro; Jurkat cells; IC50; Drug discovery; Stereochemistry; Biochemistry; Receptor tyrosine kinase; Immunology","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":["metaresearch","metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.009816858,0.0004455344,0.001461342,0.0003788803,0.0001160849,0.00002573759,0.0002940503,0.0004852515,0.00103568],"category_scores_gemma":[0.009223281,0.0003239106,0.0002466904,0.0006091403,0.001895738,0.0001520556,0.0002102532,0.001022153,0.00000591204],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002195102,"about_ca_system_score_gemma":0.0009638611,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003716085,"about_ca_topic_score_gemma":0.000001066672,"domain_scores_codex":[0.9936744,0.0007991619,0.001816753,0.0005480353,0.002645259,0.0005163802],"domain_scores_gemma":[0.9941203,0.001562237,0.001290522,0.0004613447,0.001843283,0.0007222842],"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":[0.002933256,0.000395439,0.002527779,0.0005798231,0.0002864854,0.0001251461,0.0008201218,0.000003552775,0.9735806,0.00001527225,0.0007825613,0.01794999],"study_design_scores_gemma":[0.004583059,0.003595367,0.003015665,0.00149518,0.0005928347,0.002046236,0.00225748,0.0001843276,0.9797527,0.001290817,0.0009047971,0.0002815819],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9869486,0.009480327,0.0005922255,0.001249332,0.0001758214,0.0005574355,0.00001188171,0.00001441658,0.000969979],"genre_scores_gemma":[0.9886149,0.001441265,0.008777417,0.0001209804,0.000880521,0.00002045114,0.000006775396,0.00004957325,0.00008810158],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0176684,"threshold_uncertainty_score":0.9999213,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04472675153089769,"score_gpt":0.3363741136035741,"score_spread":0.2916473620726764,"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."}}