SCHEMBL30739280

SCHEMBL30739280

COc1ccc(CNc2ncnc3cc(-c4ncc(N)cc4OC)n(-c4ccc(Oc5cccc(C)n5)c(F)c4)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EGFR P00533 7/20 0.36
POLB P06746 1/20 0.36
NR2F2 P24468 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 3/20 0.34
CHRM4 P08173 2/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CDK1 P06493 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
THRB P10828 1/20 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
SCHEMBL30739203 0.92 KMT2A (0.39) KMT2AMEN1EGFRPOLBNR2F2
SCHEMBL29178641 0.82 EGFR (0.41) KMT2AMEN1EGFRPOLBNR2F2
SCHEMBL30739262 0.79 MEN1 (0.38) KMT2AMEN1EGFRPOLBNR2F2
SCHEMBL30739398 0.78 PDE5A (0.36) KMT2AMEN1EGFRPOLBNR2F2
SCHEMBL30739402 0.77 MAP4K4 (0.37)
SCHEMBL30739323 0.77 MAP4K4 (0.36)
SCHEMBL30739354 0.76 PDE5A (0.35) KMT2AMEN1EGFRPOLBNR2F2
SCHEMBL30739343 0.76 EGFR (0.39) KMT2AMEN1EGFRPOLBNR2F2
SCHEMBL29178699 0.76 EGFR (0.39) KMT2AMEN1EGFRPOLBNR2F2
SCHEMBL30739372 0.76 MAP4K4 (0.40) L3MBTL1

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