SCHEMBL30739409

SCHEMBL30739409

C=CC(=O)Nc1ccc(-c2c(C)c3ncnc(N)c3n2-c2ccc(Oc3cccc(C)n3)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
FGFR1 P11362 1/20 0.42
CYP2C9 P11712 1/20 0.42
FGFR2 P21802 1/20 0.42
FGFR4 P22455 1/20 0.42
FGFR3 P22607 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLK P51451 2/20 0.39
CSF1R P07333 2/20 0.39
EGFR P00533 12/20 0.37
ITK Q08881 4/20 0.37
BTK Q06187 5/20 0.37
KCNH2 Q12809 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
JAK3 P52333 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
SCHEMBL30739453 0.90 CYP3A4 (0.53) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739330 0.89 FGFR1 (0.54) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29178781 0.82 FGFR1 (0.52) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739233 0.82 FGFR1 (0.52) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739232 0.82 FGFR1 (0.52) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29178825 0.82 FGFR1 (0.52) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29178649 0.82 FGFR1 (0.53) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739311 0.82 FGFR1 (0.53) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30739329 0.82 FGFR1 (0.49) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29178647 0.81 FGFR1 (0.47) 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