SCHEMBL24773428

SCHEMBL24773428

CC#CC(=O)Nc1ccc(-c2ncnc(N)c2-c2ccc(Oc3nccc(C)n3)c(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.57
▸ FGFR3 P22607 2/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ FGFR2 P21802 1/20 0.57
▸ FGFR4 P22455 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ JAK3 P52333 1/20 0.36
▸ MET P08581 10/20 0.36
▸ KDR P35968 6/20 0.36
▸ RET P07949 2/20 0.36
▸ KIT P10721 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ RPS6KA5 O75582 1/20 0.36
▸ MAP4K4 O95819 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
SCHEMBL24773595 0.93 FGFR1 (0.52) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24772958 0.91 FGFR1 (0.52) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24772957 0.91 FGFR1 (0.54) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24772738 0.91 CYP3A4 (0.56) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24772962 0.90 CYP3A4 (0.51) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24772965 0.90 CYP3A4 (0.51) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24772701 0.90 FGFR1 (0.52) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24772973 0.90 CYP3A4 (0.50) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL24772960 0.88 CYP3A4 (0.49) FGFR1FGFR3CYP3A4CYP2D6CYP2C9
SCHEMBL30680174 0.86 CYP3A4 (0.73) 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-2022206939-A1 HETEROCYCLIC COMPOUND SERVING AS FGFR INHIBITOR AND APPLICATION THEREOF 海南耀臻生物医药科技有限公司 2022-10-06 — — WO disclosed
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