SCHEMBL5408899

SCHEMBL5408899

COC1=Cc2ncn(-c3cc(OCc4c(F)cccc4F)c(C#N)s3)c2CC1OC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 14/20 0.41
PLK1 P53350 5/20 0.41
TBK1 Q9UHD2 1/20 0.41
GUCY1B2 O75343 2/20 0.30
GUCY1A2 P33402 2/20 0.30
GUCY1A1 Q02108 2/20 0.30
GUCY1B1 Q02153 2/20 0.30
PIK3CG P48736 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
SCHEMBL5769049 0.87 IKBKE (0.44) IKBKEPLK1TBK1
SCHEMBL5402250 0.85 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL5394828 0.83 IKBKE (0.42) IKBKEPLK1TBK1
SCHEMBL5395239 0.83 IKBKE (0.43) IKBKEPLK1TBK1
SCHEMBL5394698 0.81 IKBKE (0.54) IKBKEPLK1TBK1
SCHEMBL5402863 0.79 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL5403183 0.78 IKBKE (0.62) IKBKEPLK1TBK1
SCHEMBL5403434 0.78 IKBKE (0.60) IKBKEPLK1TBK1
SCHEMBL4032882 0.75 IKBKE (0.69) IKBKEPLK1TBK1
SCHEMBL4032648 0.62 IKBKE (0.70) 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 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