SCHEMBL25715485

SCHEMBL25715485

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ FGFR3 P22607 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ FGFR2 P21802 1/20 0.45
▸ FGFR4 P22455 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALOX5AP P20292 2/20 0.42
▸ FEN1 P39748 2/20 0.42
▸ TNK2 Q07912 7/20 0.40
▸ PDE2A O00408 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PI4KB Q9UBF8 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ACVRL1 P37023 1/20 0.33
▸ MET P08581 1/20 0.32

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
SCHEMBL25715486 0.88 FGFR1 (0.44) CYP2C9FGFR1FGFR3CYP3A4CYP2D6
SCHEMBL25715609 0.86 TNK2 (0.37) FGFR1FGFR3TNK2KDM4EALDH1A1
SCHEMBL25715484 0.83 ALOX5AP (0.46) CYP2C9FGFR1FGFR3CYP3A4CYP2D6
SCHEMBL25718337 0.80 FGFR1 (0.65) CYP2C9FGFR1FGFR3CYP3A4CYP2D6
SCHEMBL25715487 0.80 FGFR1 (0.52) CYP2C9FGFR1FGFR3CYP3A4CYP2D6
SCHEMBL30326192 0.78 CYP3A4 (0.48) CYP2C9FGFR1FGFR3CYP3A4CYP2D6
SCHEMBL25715554 0.77 SRC (0.42) CYP2C9CYP3A4CYP2D6CYP2C19TNK2
SCHEMBL24772742 0.75 CYP3A4 (0.49) CYP2C9FGFR1FGFR3CYP3A4CYP2D6
SCHEMBL30680183 0.74 CYP2C9 (0.51) CYP2C9FGFR1FGFR3CYP3A4CYP2D6
SCHEMBL24772741 0.74 CYP2C9 (0.51) CYP2C9FGFR1FGFR3CYP3A4CYP2D6

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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