SCHEMBL29178709

SCHEMBL29178709

COc1ccc(CNc2ncnc3c(C)c(-c4cnc(N)nc4)n(-c4ccc(OCc5ccccc5)c(F)c4)c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.40
POLB P06746 1/20 0.40
NR2F2 P24468 1/20 0.40
LMNA P02545 4/20 0.40
TP53 P04637 3/20 0.39
PDE5A O76074 2/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APP P05067 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 2/20 0.37
OXTR P30559 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36

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
SCHEMBL30739169 0.89 EGFR (0.40) EGFRPOLBNR2F2LMNATP53
SCHEMBL29178907 0.89 EGFR (0.40) EGFRPOLBNR2F2LMNATP53
SCHEMBL29178629 0.89 EGFR (0.41) EGFRPOLBNR2F2LMNATP53
SCHEMBL29178634 0.89 EGFR (0.39) EGFRPOLBNR2F2LMNATP53
SCHEMBL30739218 0.89 EGFR (0.39) EGFRPOLBNR2F2LMNATP53
SCHEMBL29178752 0.88 AURKA (0.41) EGFRPOLBNR2F2LMNATP53
SCHEMBL29178699 0.88 EGFR (0.39) EGFRPOLBNR2F2LMNATP53
SCHEMBL30739343 0.88 EGFR (0.39) EGFRPOLBNR2F2LMNATP53
SCHEMBL29178646 0.88 EGFR (0.39) EGFRPOLBNR2F2LMNATP53
SCHEMBL29178790 0.86 MAPT (0.40) EGFRPOLBNR2F2LMNATP53

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