SCHEMBL4032649

SCHEMBL4032649

COc1cc2ncn(C3=CC(OCc4cc(F)ccc4F)C(=S)C(C#N)=C3)c2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 12/20 0.39
PLK1 P53350 8/20 0.38
TBK1 Q9UHD2 1/20 0.36
FGFR1 P11362 2/20 0.36
SRC P12931 2/20 0.36
CYP1A2 P05177 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL4040575 0.87 IKBKE (0.40) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4033043 0.85 PLK1 (0.48) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4035204 0.84 IKBKE (0.38) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4040312 0.83 IKBKE (0.42) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4035304 0.82 PLK1 (0.46) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4032684 0.80 FGFR1 (0.43) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4034367 0.80 PLK1 (0.44) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4038228 0.79 IKBKE (0.61) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4037133 0.79 IKBKE (0.37) IKBKEPLK1TBK1FGFR1SRC
SCHEMBL4034530 0.79 IKBKE (0.41) IKBKEPLK1TBK1FGFR1SRC

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