SCHEMBL7787529

SCHEMBL7787529

COc1ccc(C(NC(C)c2ccncc2)c2cccc(Nc3c(N)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 0.41
ROCK1 Q13464 4/20 0.41
AURKB Q96GD4 4/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
IRAK1 P51617 2/20 0.41
CDC42BPA Q5VT25 2/20 0.41
CSNK1G3 Q9Y6M4 2/20 0.41
CYP2C9 P11712 2/20 0.41
PDGFRA P16234 2/20 0.41
MAPK1 P28482 2/20 0.41
RPS6KA1 Q15418 2/20 0.41
CSNK1G1 Q9HCP0 2/20 0.41
DCLK1 O15075 1/20 0.41
ROCK2 O75116 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKX P51817 1/20 0.41

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
SCHEMBL7787667 0.92 MAPKAPK2 (0.46) MAPKAPK2MEN1KMT2APOLBROCK1
SCHEMBL7787665 0.90 MAPKAPK2 (0.51) MAPKAPK2ROCK1AURKBGSK3AGSK3B
SCHEMBL7788955 0.90 MAPKAPK2 (0.51) MAPKAPK2ROCK1AURKBGSK3AGSK3B
SCHEMBL7780308 0.90 MAPKAPK2 (0.51) MAPKAPK2ROCK1AURKBGSK3AGSK3B
SCHEMBL7787681 0.89 MAPKAPK2 (0.44) MAPKAPK2MEN1KMT2APOLBROCK1
SCHEMBL7780703 0.89 MEN1 (0.42) MAPKAPK2MEN1KMT2APOLBGSK3B
SCHEMBL7780389 0.86 KMT2A (0.41) MAPKAPK2MEN1KMT2APOLBCYP2C9
SCHEMBL7787655 0.86 ALDH1A1 (0.44) MAPKAPK2MEN1KMT2APOLBCYP2C9
SCHEMBL7780560 0.86 ALDH1A1 (0.44) MAPKAPK2MEN1KMT2APOLBCYP2C9
SCHEMBL7785675 0.86 KMT2A (0.40) MAPKAPK2MEN1KMT2APOLBTDO2

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 4 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 claimed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP claimed
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