SCHEMBL5403434

SCHEMBL5403434

COC1=Cc2ncn(-c3cc(OCC4CCCCO4)c(C#N)s3)c2CC1OC

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 13/20 0.60
PLK1 P53350 7/20 0.42
TBK1 Q9UHD2 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.31
RET P07949 1/20 0.30
GPR84 Q9NQS5 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
SCHEMBL5407254 0.97 IKBKE (0.63) IKBKEPLK1TBK1GPR84
SCHEMBL5403183 0.80 IKBKE (0.62) IKBKEPLK1TBK1
SCHEMBL5402250 0.79 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL5395239 0.79 IKBKE (0.43) IKBKEPLK1TBK1
SCHEMBL5402863 0.79 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL4035642 0.78 IKBKE (0.95) IKBKEPLK1TBK1
SCHEMBL5408899 0.78 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL5394828 0.78 IKBKE (0.42) IKBKEPLK1TBK1
SCHEMBL5769049 0.76 IKBKE (0.44) IKBKEPLK1TBK1
SCHEMBL5403798 0.75 PLK1 (0.62) IKBKEPLK1TBK1IRAK4

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