SCHEMBL5418890

SCHEMBL5418890

N#Cc1sc(-n2cnc3c2CCC=C3)cc1OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 14/20 0.61
PLK1 P53350 7/20 0.43
TBK1 Q9UHD2 1/20 0.40
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 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
SCHEMBL5401515 0.83 IKBKE (0.60) IKBKEPLK1TBK1FNTAFNTB
SCHEMBL4035635 0.76 IKBKE (1.00) IKBKEPLK1TBK1
SCHEMBL4032134 0.72 IKBKE (0.79) IKBKEPLK1TBK1
SCHEMBL5394634 0.68 IKBKE (0.45) IKBKEPLK1TBK1FNTAFNTB
SCHEMBL5395239 0.64 IKBKE (0.43) IKBKEPLK1TBK1
SCHEMBL4032568 0.63 IKBKE (0.78) IKBKEPLK1TBK1
SCHEMBL4034132 0.63 IKBKE (0.74) IKBKEPLK1TBK1
SCHEMBL13849117 0.62 IKBKE (0.63) IKBKEPLK1TBK1
SCHEMBL4032804 0.61 IKBKE (0.80) IKBKEPLK1TBK1
SCHEMBL5063267 0.57 PLK1 (0.84) IKBKEPLK1

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