SCHEMBL29907185

SCHEMBL29907185

COc1ccc(Cn2nc(-c3cn[nH]c3)c3nc(-c4cccc(C)c4C)c(OC)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 15/20 0.41
BUB1 O43683 4/20 0.39
AURKA O14965 1/20 0.37
GRK2 P25098 1/20 0.37
ROCK1 Q13464 1/20 0.37
RPS6KA1 Q15418 1/20 0.37

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
SCHEMBL23210908 1.00 ROCK2 (0.41) ROCK2BUB1AURKAGRK2ROCK1
SCHEMBL23211088 0.86 ROCK2 (0.37) ROCK2BUB1AURKAGRK2ROCK1
SCHEMBL29907068 0.86 ROCK2 (0.37) ROCK2BUB1AURKAGRK2ROCK1
SCHEMBL29907070 0.85 BUB1 (0.42) BUB1
SCHEMBL23210943 0.85 BUB1 (0.42) BUB1
SCHEMBL23210986 0.83 BUB1 (0.39) BUB1
SCHEMBL29907069 0.83 BUB1 (0.39) BUB1
SCHEMBL23210853 0.82 FGFR1 (0.37) BUB1
SCHEMBL29907024 0.82 FGFR1 (0.37) BUB1
SCHEMBL29008859 0.81 BUB1 (0.37) BUB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115835908-A Bicyclic heterocycles as FGFR inhibitors 因赛特公司 2023-03-21 CN disclosed
EP-4045151-A1 BICYCLIC HETEROCYCLES AS FGFR INHIBITORS Incyte Corporation (US) 2022-08-24 EP disclosed