SCHEMBL7787681

SCHEMBL7787681

COc1ccc(C(NC(C)c2ccncc2)c2cccc(Nc3c(OC)c(=O)c3=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 14/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
ROCK1 Q13464 3/20 0.42
AURKB Q96GD4 3/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
IRAK1 P51617 2/20 0.42
CDC42BPA Q5VT25 2/20 0.42
CSNK1G3 Q9Y6M4 2/20 0.42
DCLK1 O15075 1/20 0.42
ROCK2 O75116 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKX P51817 1/20 0.42
NEK4 P51957 1/20 0.42
PLK1 P53350 1/20 0.42
CSNK1G2 P78368 1/20 0.42
BRSK1 Q8TDC3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL7789059 0.93 MAPKAPK2 (0.49) MAPKAPK2MEN1KMT2AROCK1AURKB
SCHEMBL7787529 0.89 MAPKAPK2 (0.44) MAPKAPK2MEN1KMT2APOLBROCK1
SCHEMBL7780624 0.87 POLB (0.40) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787611 0.86 MAPKAPK2 (0.46) MAPKAPK2MEN1KMT2APOLBROCK1
SCHEMBL7780556 0.86 ALDH1A1 (0.44) MAPKAPK2MEN1KMT2APOLBCYP2D6
SCHEMBL7780375 0.86 KMT2A (0.42) MAPKAPK2MEN1KMT2APOLBCYP3A4
SCHEMBL7780348 0.85 KMT2A (0.41) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7784909 0.85 KMT2A (0.41) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787517 0.85 KMT2A (0.41) MAPKAPK2MEN1KMT2APOLBACP3
SCHEMBL7787598 0.85 MAPKAPK2 (0.43) MAPKAPK2MEN1KMT2APOLBROCK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed