{"id":"W2519427975","doi":"10.1021/acsmedchemlett.5b00485","title":"Discovery of Pyrazolo[1,5-<i>a</i>]pyrimidine TTK Inhibitors: CFI-402257 is a Potent, Selective, Bioavailable Anticancer Agent","year":2016,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Synthesis and Characterization of Heterocyclic Compounds","field":"Chemistry","cited_by":79,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; University Health Network; Ontario Institute for Cancer Research","funders":"Canadian Institutes of Health Research; Government of Canada; Princess Margaret Cancer Foundation","keywords":"Bioavailability; Pyrimidine; Chemistry; In vitro; Potency; Combinatorial chemistry; Pharmacokinetics; Pharmacology; Drug discovery; Solvent; Stereochemistry; Structure–activity relationship; Biochemistry; Medicine","routes":{"ca_aff":true,"ca_fund":true,"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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001572519,0.0003960769,0.0005279407,0.00005461869,0.00009844876,0.00004130793,0.0004782544,0.0001760391,0.001693531],"category_scores_gemma":[0.0001760729,0.0002922965,0.0002021821,0.0001947982,0.0003960172,0.0002723793,0.0001429082,0.000218668,0.00003082685],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002269237,"about_ca_system_score_gemma":0.0000784366,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006399585,"about_ca_topic_score_gemma":0.000001096941,"domain_scores_codex":[0.9974077,0.00001660325,0.0006798991,0.0006612802,0.0007057977,0.0005287565],"domain_scores_gemma":[0.9981619,0.0001941156,0.0007171305,0.0006621617,0.00009957836,0.0001651355],"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":[0.0001283327,0.0001323029,0.008389139,0.000312827,0.0001529502,0.00002689456,0.0001468326,4.053771e-7,0.9743086,0.000002877403,0.0143517,0.00204722],"study_design_scores_gemma":[0.001036501,0.00001847599,0.0007382522,0.0006594005,0.00009392167,0.00004619704,0.0001359394,0.000008136734,0.9855439,0.00002153662,0.01133072,0.0003669932],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9869891,0.000223714,0.0001752681,0.008792937,0.0001701465,0.00006660582,0.0001070537,0.0000854901,0.003389662],"genre_scores_gemma":[0.9949016,0.000292993,0.00004694868,0.001465939,0.0008986083,0.00003153608,0.00004148174,0.00005379242,0.002267109],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01123541,"threshold_uncertainty_score":0.9999529,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01046770974450791,"score_gpt":0.220324505155156,"score_spread":0.2098567954106481,"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."}}