SCHEMBL30739341

SCHEMBL30739341

COc1ccc(CNc2ncnc3c(C)c(-c4cnc(N)nc4)n(-c4ccc(Oc5nccc(C)n5)c(F)c4)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
PDE5A O76074 1/20 0.36
MAPT P10636 4/20 0.36
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
LMNA P02545 3/20 0.35
RXFP1 Q9HBX9 2/20 0.35
TP53 P04637 1/20 0.35
CHRM4 P08173 2/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
BLM P54132 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL30739279 0.93 CYP3A4 (0.38) PDE5AMAPTCYP3A4CYP2D6FGFR1
SCHEMBL30739340 0.90 PDE5A (0.35) PDE5AMAPTCYP3A4CYP2D6FGFR1
SCHEMBL30739174 0.90 CYP3A4 (0.37) PDE5AMAPTCYP3A4CYP2D6FGFR1
SCHEMBL30739246 0.89 PDE5A (0.35) ALOX5APFEN1PDE5AMAPTCYP3A4
SCHEMBL30739398 0.89 PDE5A (0.36) PDE5AMAPTCYP3A4CYP2D6FGFR1
SCHEMBL29178669 0.89 MAPT (0.36) PDE5AMAPTCYP3A4CYP2D6FGFR1
SCHEMBL30739352 0.89 MAPT (0.36) PDE5AMAPTCYP3A4CYP2D6FGFR1
SCHEMBL30739154 0.86 PDE5A (0.39) PDE5AMAPTLMNARXFP1TP53
SCHEMBL29178672 0.86 PDE5A (0.39) PDE5AMAPTLMNARXFP1TP53
SCHEMBL30739277 0.86 PDE5A (0.38) PDE5AMAPTLMNARXFP1TP53

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