SCHEMBL30739281

SCHEMBL30739281

COc1ccc(CNc2ncnc3c(C)cn(-c4ccc(Oc5nccc(C)n5)c(F)c4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
PDE5A O76074 1/20 0.40
MAPT P10636 4/20 0.40
CHRM4 P08173 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
BLM P54132 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CCNB2 O95067 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCNB3 Q8WWL7 2/20 0.36
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.35
OXTR P30559 1/20 0.35
EGFR P00533 1/20 0.35
NR2F2 P24468 1/20 0.35

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
SCHEMBL30739269 0.86 PDE5A (0.39) LMNAPDE5AMAPTCHRM4KDM4E
SCHEMBL30739279 0.82 CYP3A4 (0.38) LMNAPDE5AMAPTCHRM4KDM4E
SCHEMBL30739174 0.81 CYP3A4 (0.37) LMNAPDE5AMAPTCHRM4KDM4E
SCHEMBL30739341 0.81 ALOX5AP (0.38) LMNAPDE5AMAPTCHRM4KDM4E
SCHEMBL29178669 0.80 MAPT (0.36) LMNAPDE5AMAPTCHRM4KDM4E
SCHEMBL30739352 0.80 MAPT (0.36) LMNAPDE5AMAPTCHRM4KDM4E
SCHEMBL30739340 0.80 PDE5A (0.35) LMNAPDE5AMAPTCHRM4KDM4E
SCHEMBL30739246 0.79 PDE5A (0.35) LMNAPDE5AMAPTCHRM4KDM4E
SCHEMBL30739412 0.79 CYP3A4 (0.45) MET
SCHEMBL30739262 0.79 MEN1 (0.38) LMNAPDE5AMAPTCHRM4POLB

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