SCHEMBL31434739

SCHEMBL31434739

OCc1ccc(-c2cnn(C3CCCCO3)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.45
FGFR1 P11362 2/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
KDM5B Q9UGL1 1/20 0.41
MCL1 Q07820 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CYP4F2 P78329 5/20 0.37
CYP4A11 Q02928 5/20 0.37
SYK P43405 1/20 0.36
AURKB Q96GD4 1/20 0.36
S1PR1 P21453 1/20 0.36
KDM1A O60341 1/20 0.35
MERTK Q12866 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL31434638 0.88 KDM5B (0.43) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL19277419 0.84 CYP4F2 (0.43) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL29689591 0.84 KDM5B (0.44) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL22075273 0.84 FGFR3 (0.56) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL29218244 0.82 KDM5B (0.42) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL26130683 0.82 KDM5B (0.42) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL30895651 0.82 KDM5B (0.42) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL28375403 0.81 MCL1 (0.45) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL878011 0.80 KDM5B (0.38) FLT3FGFR1FGFR2FGFR4FGFR3
SCHEMBL20590902 0.78 CYP4F2 (0.54) FLT3FGFR1FGFR2FGFR4FGFR3

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
WO-2025085347-A1 IL4I1 INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-04-24 WO disclosed