SCHEMBL30739352

SCHEMBL30739352

COc1ccc(CNc2ncnc3c(C)c(-c4ncc(N)cc4C)n(-c4ccc(Oc5nccc(C)n5)c(F)c4)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
PDE5A O76074 1/20 0.34
LMNA P02545 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
TP53 P04637 1/20 0.34
CHRM4 P08173 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
FGFR1 P11362 1/20 0.33
CYP2C9 P11712 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
BLM P54132 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL29178669 1.00 MAPT (0.36) MAPTPDE5ALMNARXFP1TP53
SCHEMBL30739340 0.96 PDE5A (0.35) MAPTPDE5ALMNARXFP1TP53
SCHEMBL30739398 0.95 PDE5A (0.36) MAPTPDE5ALMNARXFP1TP53
SCHEMBL30739258 0.93 MAPT (0.35) MAPTPDE5ALMNARXFP1TP53
SCHEMBL29178741 0.93 MAPT (0.35) MAPTPDE5ALMNARXFP1TP53
SCHEMBL30739246 0.90 PDE5A (0.35) MAPTPDE5ALMNARXFP1TP53
SCHEMBL30739279 0.90 CYP3A4 (0.38) MAPTPDE5ALMNARXFP1TP53
SCHEMBL30739174 0.89 CYP3A4 (0.37) MAPTPDE5ALMNARXFP1TP53
SCHEMBL30739341 0.89 ALOX5AP (0.38) MAPTPDE5ALMNARXFP1TP53
SCHEMBL29178717 0.88 MAPT (0.34) MAPTPDE5ALMNARXFP1TP53

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