SCHEMBL29110381

SCHEMBL29110381

C[C](C)CNCCn1c(Br)c(-c2ccc(Oc3nccc(C)n3)c(F)c2)c2c(N)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
FGFR1 P11362 1/20 0.56
CYP2C9 P11712 1/20 0.56
FGFR2 P21802 1/20 0.56
FGFR4 P22455 1/20 0.56
FGFR3 P22607 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
RPS6KA3 P51812 5/20 0.34
EGFR P00533 3/20 0.32
FYN P06241 2/20 0.32
VCP P55072 2/20 0.32
YES1 P07947 1/20 0.32
RPS6KB1 P23443 1/20 0.32
EPHA2 P29317 1/20 0.32
PI4KB Q9UBF8 3/20 0.32
BTK Q06187 2/20 0.31
HSP90AA1 P07900 1/20 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
SCHEMBL30717990 0.85 CYP3A4 (0.54) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL26627319 0.85 CYP3A4 (0.54) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29452581 0.81 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22677151 0.81 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL26627316 0.77 CYP3A4 (0.44) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL22658735 0.76 CYP3A4 (0.64) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL31398933 0.76 FGFR1 (0.51) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL26106772 0.75 CYP3A4 (0.56) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL29407664 0.75 CYP3A4 (0.56) CYP3A4CYP2D6FGFR1CYP2C9FGFR2
SCHEMBL24459761 0.75 FGFR1 (0.73) 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-116903628-A FGFR2 inhibitors and methods of use 深圳福沃药业有限公司 2023-10-20 CN disclosed