SCHEMBL29027066

SCHEMBL29027066

Cn1ccc2cc(N)cc(C(F)(F)F)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.40
▸ ZAP70 P43403 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ EPHA1 P21709 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ BMX P51813 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ ALK Q9UM73 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29026946 0.82 BRD4 (0.35) ZAP70GAATSHRCHEK1AURKA
SCHEMBL23346719 0.67 PRKCI (0.56) PRKCIGAAGLACHEK1AURKA
SCHEMBL30038986 0.67 CHEK1 (0.38) POLBCHEK1AURKANTRK1CDK1
SCHEMBL27562099 0.66 BRD4 (0.35) BRPF1BRD4TAF1CREBBPCECR2
SCHEMBL16021148 0.65 BRD4 (0.34) GAABRPF1BRD4TAF1CREBBP
SCHEMBL26831959 0.65 BRD4 (0.34) GAAPOLBBRPF1BRD4TAF1
SCHEMBL26800825 0.65 BRD9 (0.39) ZAP70CDK2BRPF1BRD4TAF1
SCHEMBL13460182 0.64 RAB9A (0.45) TSHRPOLBMEN1KMT2AMAPT
SCHEMBL13139309 0.64 KDM4E (0.41) ZAP70CDK2BRPF1BRD4TAF1
SCHEMBL2032060 0.64 JAK2 (0.44) PRKCIZAP70GAATSHRPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375683-A Diazole derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-04 — — CN disclosed
Send feedback