SCHEMBL5402863

SCHEMBL5402863

CC[C@@H](C)Oc1cc(-n2cnc3c2CC(OC)C(OC)=C3)sc1C#N

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 13/20 0.41
PLK1 P53350 3/20 0.34
TBK1 Q9UHD2 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
SCHEMBL5394828 0.79 IKBKE (0.42) IKBKEPLK1TBK1
SCHEMBL5403434 0.79 IKBKE (0.60) IKBKEPLK1TBK1
SCHEMBL5403183 0.79 IKBKE (0.62) IKBKEPLK1TBK1
SCHEMBL5769049 0.78 IKBKE (0.44) IKBKEPLK1TBK1
SCHEMBL5401513 0.74 IKBKE (0.37) IKBKEPLK1TBK1
SCHEMBL5410566 0.67 IKBKE (0.66) IKBKEPLK1TBK1
SCHEMBL5410055 0.56 IKBKE (0.46) IKBKEPLK1TBK1
SCHEMBL5394693 0.50 IKBKE (0.65) IKBKEPLK1TBK1
SCHEMBL20562757 0.49 IKBKE (0.32) IKBKE
SCHEMBL15801286 0.48 XDH (0.46)

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 3 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