SCHEMBL30848600

SCHEMBL30848600

CC(=Cc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)cc3)c3c(N)ncc(C#N)c3n2C)c(C)c1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
FGFR1 P11362 1/20 0.36
CYP2C9 P11712 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAP2K1 Q02750 5/20 0.32
RAF1 P04049 4/20 0.32
BTK Q06187 2/20 0.32
SCN9A Q15858 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL30848558 0.93 CYP3A4 (0.35) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30848700 0.86 CYP3A4 (0.47) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30848627 0.85 BTK (0.32) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30326099 0.84 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30325875 0.84 CYP3A4 (0.40) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30325814 0.82 CYP3A4 (0.46) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30325690 0.79 CYP3A4 (0.54) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30325864 0.79 FGFR1 (0.44) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30325674 0.79 CYP3A4 (0.39) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL30366660 0.78 TNK2 (0.34) 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-118043327-A FGFR inhibitors and methods of use thereof 思康睿奇(上海)药业有限公司 2024-05-14 CN disclosed