SCHEMBL25715484

SCHEMBL25715484

COc1cc(-c2ccc(Oc3nccc(C)n3)c(F)c2)c2c(N)ncnn12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.46
▸ FEN1 P39748 3/20 0.46
▸ CYP2C9 P11712 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ FGFR2 P21802 1/20 0.43
▸ FGFR4 P22455 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TNK2 Q07912 4/20 0.40
▸ ACVRL1 P37023 7/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PDE2A O00408 2/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ PI4KB Q9UBF8 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
SCHEMBL25715608 0.85 TNK2 (0.39) ALOX5APFEN1TNK2ACVRL1
SCHEMBL25715485 0.83 CYP2C9 (0.45) ALOX5APFEN1CYP2C9CYP3A4CYP2D6
SCHEMBL25715486 0.82 FGFR1 (0.44) ALOX5APFEN1CYP2C9CYP3A4CYP2D6
SCHEMBL30326192 0.77 CYP3A4 (0.48) ALOX5APFEN1CYP2C9CYP3A4CYP2D6
SCHEMBL25715553 0.74 CYP11B1 (0.45) CYP2C9CYP3A4CYP2D6CYP2C19TNK2
SCHEMBL28981128 0.74 ALOX5AP (0.54) ALOX5APFEN1CYP2C9CYP3A4CYP2D6
SCHEMBL25715487 0.74 FGFR1 (0.52) ALOX5APFEN1CYP2C9CYP3A4CYP2D6
SCHEMBL25718337 0.74 FGFR1 (0.65) ALOX5APFEN1CYP2C9CYP3A4CYP2D6
SCHEMBL29407664 0.74 CYP3A4 (0.56) ALOX5APFEN1CYP2C9CYP3A4CYP2D6
SCHEMBL26106772 0.74 CYP3A4 (0.56) ALOX5APFEN1CYP2C9CYP3A4CYP2D6

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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