SCHEMBL4032259

SCHEMBL4032259

COc1cc2ncn(C3=CC(OCCN4CCCC4=O)C(=S)C(C#N)=C3)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 8/20 0.40
PGK1 P00558 1/20 0.38
PLK1 P53350 5/20 0.35
KIT P10721 2/20 0.35
CTSS P25774 3/20 0.34
CTSK P43235 1/20 0.34
IDH1 O75874 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
TBK1 Q9UHD2 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
SCHEMBL4035585 0.83 IKBKE (0.55) IKBKEFGFR1SRC
SCHEMBL4032684 0.79 FGFR1 (0.43) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4034367 0.79 PLK1 (0.44) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4037644 0.77 IKBKE (0.53) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4034530 0.76 IKBKE (0.41) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4040312 0.76 IKBKE (0.42) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4040575 0.75 IKBKE (0.40) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4037455 0.75 IKBKE (0.40) IKBKEPLK1FGFR1SRCTBK1
SCHEMBL4036831 0.74 PLK1 (0.46) IKBKEPLK1KITFGFR1SRC
SCHEMBL4032649 0.74 IKBKE (0.39) IKBKEPLK1FGFR1SRCTBK1

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