SCHEMBL25718337

SCHEMBL25718337

C=C(C)C(=O)Nc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnn3c2OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 4/20 0.65
▸ FGFR3 P22607 3/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2D6 P10635 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ FGFR2 P21802 1/20 0.65
▸ FGFR4 P22455 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ KDR P35968 6/20 0.42
▸ MET P08581 4/20 0.42
▸ KIT P10721 3/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ MAPK9 P45984 2/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ FLT1 P17948 2/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PAK4 O96013 1/20 0.42

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
SCHEMBL25715487 0.90 FGFR1 (0.52) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL25715486 0.85 FGFR1 (0.44) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL31213932 0.85 FGFR1 (0.66) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24773300 0.84 CYP3A4 (0.73) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL30680174 0.84 CYP3A4 (0.73) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL31213902 0.82 FGFR1 (0.59) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL31214014 0.81 CYP3A4 (0.61) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL31213876 0.80 FGFR1 (0.60) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL25715485 0.80 CYP2C9 (0.45) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL31213957 0.79 CYP3A4 (0.59) FGFR1FGFR3CYP3A4CYP2D6CYP2C9

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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