SCHEMBL4033248

SCHEMBL4033248

CCC[C@H](OC1C=C(n2cnc3cc(OC)c(OC)cc32)C=C(C#N)C1=S)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 10/20 0.46
PLK1 P53350 9/20 0.38
PLK3 Q9H4B4 4/20 0.38
CDK2 P24941 1/20 0.38
SRC P12931 3/20 0.37
FGFR1 P11362 2/20 0.37
TBK1 Q9UHD2 1/20 0.34
CYP1A2 P05177 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL4037455 0.80 IKBKE (0.40) IKBKEPLK1SRCFGFR1TBK1
SCHEMBL4034530 0.80 IKBKE (0.41) IKBKEPLK1PLK3CDK2SRC
SCHEMBL4038336 0.79 IKBKE (0.57) IKBKEPLK1PLK3CDK2SRC
SCHEMBL4032684 0.76 FGFR1 (0.43) IKBKEPLK1SRCFGFR1TBK1
SCHEMBL4034367 0.76 PLK1 (0.44) IKBKEPLK1SRCFGFR1TBK1
SCHEMBL4040575 0.74 IKBKE (0.40) IKBKEPLK1SRCFGFR1TBK1
SCHEMBL4033246 0.73 IKBKE (0.77) IKBKEPLK1PLK3CDK2TBK1
SCHEMBL4032649 0.73 IKBKE (0.39) IKBKEPLK1SRCFGFR1TBK1
SCHEMBL4035304 0.73 PLK1 (0.46) IKBKEPLK1SRCFGFR1TBK1
SCHEMBL4036831 0.73 PLK1 (0.46) IKBKEPLK1SRCFGFR1TBK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP claimed