SCHEMBL30739399

SCHEMBL30739399

Cc1ccnc(Oc2ccc(-n3c(-c4ccc(N)cc4CN(C)C)c(C)c4ncnc(N)c43)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
FGFR1 P11362 1/20 0.38
CYP2C9 P11712 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALOX5AP P20292 4/20 0.34
FEN1 P39748 4/20 0.34
F10 P00742 1/20 0.31
CSF1R P07333 4/20 0.31

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
SCHEMBL29178899 1.00 CYP3A4 (0.38) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739118 0.90 CYP3A4 (0.41) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739363 0.90 CYP3A4 (0.37) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739367 0.90 CYP3A4 (0.37) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29178688 0.90 CYP3A4 (0.37) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29178664 0.90 CYP3A4 (0.37) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739293 0.89 CYP3A4 (0.41) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739224 0.88 CYP3A4 (0.40) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29178677 0.86 CYP3A4 (0.41) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739157 0.86 CYP3A4 (0.41) CYP3A4CYP2D6FGFR1CYP2C9FGFR2

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
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed