SCHEMBL30739246

SCHEMBL30739246

COc1ccc(CNc2ncnc3c(C)c(-c4ccc(N)cn4)n(-c4ccc(Oc5nccc(C)n5)c(F)c4)c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.35
MAPT P10636 6/20 0.35
RXFP1 Q9HBX9 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM4 P08173 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
FGFR1 P11362 1/20 0.34
CYP2C9 P11712 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 4/20 0.33
POLB P06746 2/20 0.33
CCNB2 O95067 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33

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 0.92 CYP3A4 (0.38) PDE5AMAPTRXFP1LMNATP53
SCHEMBL30739340 0.91 PDE5A (0.35) PDE5AMAPTRXFP1LMNATP53
SCHEMBL30739352 0.90 MAPT (0.36) PDE5AMAPTRXFP1LMNATP53
SCHEMBL30739398 0.90 PDE5A (0.36) PDE5AMAPTRXFP1LMNATP53
SCHEMBL29178669 0.90 MAPT (0.36) PDE5AMAPTRXFP1LMNATP53
SCHEMBL30739174 0.90 CYP3A4 (0.37) PDE5AMAPTRXFP1LMNATP53
SCHEMBL30739341 0.89 ALOX5AP (0.38) PDE5AMAPTRXFP1LMNATP53
SCHEMBL30739218 0.85 EGFR (0.39) PDE5AMAPTRXFP1LMNATP53
SCHEMBL29178634 0.85 EGFR (0.39) PDE5AMAPTRXFP1LMNATP53
SCHEMBL29178723 0.84 MAPT (0.39) PDE5AMAPTRXFP1LMNATP53

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