SCHEMBL25715486

SCHEMBL25715486

COc1c(-c2ccc(N)cc2)c(-c2ccc(Oc3nccc(C)n3)c(F)c2)c2c(N)ncnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.44
▸ FGFR3 P22607 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ FGFR2 P21802 1/20 0.44
▸ FGFR4 P22455 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ALOX5AP P20292 2/20 0.41
▸ FEN1 P39748 2/20 0.41
▸ TNK2 Q07912 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PLK4 O00444 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ CHEK2 O96017 1/20 0.34

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
SCHEMBL25715485 0.88 CYP2C9 (0.45) FGFR1FGFR3CYP2C9CYP3A4CYP2D6
SCHEMBL25715611 0.87 TNK2 (0.38) FGFR1FGFR3TNK2KDM4EALDH1A1
SCHEMBL25715487 0.85 FGFR1 (0.52) FGFR1FGFR3CYP2C9CYP3A4CYP2D6
SCHEMBL25718337 0.85 FGFR1 (0.65) FGFR1FGFR3CYP2C9CYP3A4CYP2D6
SCHEMBL25715484 0.82 ALOX5AP (0.46) FGFR1FGFR3CYP2C9CYP3A4CYP2D6
SCHEMBL24772742 0.80 CYP3A4 (0.49) FGFR1FGFR3CYP2C9CYP3A4CYP2D6
SCHEMBL25715555 0.78 SRC (0.41) FGFR1FGFR3CYP2C9CYP3A4CYP2D6
SCHEMBL30326192 0.77 CYP3A4 (0.48) FGFR1FGFR3CYP2C9CYP3A4CYP2D6
SCHEMBL25715609 0.76 TNK2 (0.37) FGFR1FGFR3TNK2KDM4EALDH1A1
SCHEMBL31213987 0.74 TNK2 (0.41) FGFR1FGFR3CYP2C9CYP3A4CYP2D6

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
WO-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
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