SCHEMBL5403183

SCHEMBL5403183

COC1=Cc2ncn(-c3cc(OCCN4CCOCC4)c(C#N)s3)c2CC1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 7/20 0.62
USP2 O75604 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
BRCA1 P38398 1/20 0.38
HTT P42858 1/20 0.38
HBB P68871 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SYK P43405 1/20 0.36
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
MCHR1 Q99705 1/20 0.35
NSD2 O96028 1/20 0.35
SRC P12931 3/20 0.34
PLK1 P53350 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
SCHEMBL5410566 0.85 IKBKE (0.66) IKBKEEGFRKDRSRCPLK1
SCHEMBL5395239 0.82 IKBKE (0.43) IKBKEHSD17B10MCHR1PLK1TBK1
SCHEMBL5402250 0.79 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL5408899 0.78 IKBKE (0.41) IKBKEPLK1TBK1
SCHEMBL4035225 0.77 IKBKE (1.00) IKBKESRCPLK1TBK1RAF1
SCHEMBL5401513 0.74 IKBKE (0.37) IKBKEPLK1TBK1
SCHEMBL5392979 0.73 IKBKE (0.62) IKBKEKDRPLK1
SCHEMBL5401659 0.71 IKBKE (0.48) IKBKEKDRPLK1TBK1
SCHEMBL4033240 0.66 IKBKE (1.00) IKBKEEGFRKDRSRCPLK1
SCHEMBL19125158 0.61 SYK (0.54) IKBKEUSP2MEN1ALDH1A1MAPT

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