SCHEMBL5395239

SCHEMBL5395239

COC1=Cc2ncn(-c3cc(OCCOc4ccccc4)c(C#N)s3)c2CC1OC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 14/20 0.43
PLK1 P53350 5/20 0.40
TBK1 Q9UHD2 1/20 0.40
ICMT O60725 2/20 0.33
HSD17B10 Q99714 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL5392979 0.79 IKBKE (0.62) IKBKEPLK1
SCHEMBL5401659 0.78 IKBKE (0.48) IKBKEPLK1TBK1
SCHEMBL5401513 0.75 IKBKE (0.37) IKBKEPLK1TBK1
SCHEMBL4032682 0.74 IKBKE (0.67) IKBKEPLK1TBK1
SCHEMBL5410566 0.73 IKBKE (0.66) IKBKEPLK1TBK1
SCHEMBL4033774 0.64 PLK1 (0.68) IKBKEPLK1TBK1
SCHEMBL5410055 0.62 IKBKE (0.46) IKBKEPLK1TBK1
SCHEMBL4032804 0.59 IKBKE (0.80) IKBKEPLK1TBK1
SCHEMBL4035635 0.59 IKBKE (1.00) IKBKEPLK1TBK1
SCHEMBL4032176 0.58 IKBKE (0.90) IKBKEPLK1TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007522142-A 2007-08-09 JP claimed
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP claimed
WO-2005075465-A1 BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2005-08-18 WO claimed
EP-1720864-A1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2006-11-15 EP disclosed
WO-2005075465-A1 BENZIMIDAZOL SUBSTITUTED THIOPENE DERIVATIVES WITH ATCTIVITY ON IKK3 GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed