SCHEMBL4037455

SCHEMBL4037455

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 11/20 0.40
FGFR1 P11362 2/20 0.37
SRC P12931 2/20 0.37
PLK1 P53350 8/20 0.35
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
SCHEMBL4038336 0.81 IKBKE (0.57) IKBKEFGFR1SRCPLK1
SCHEMBL4040312 0.79 IKBKE (0.42) IKBKEFGFR1SRCPLK1TBK1
SCHEMBL4034367 0.79 PLK1 (0.44) IKBKEFGFR1SRCPLK1TBK1
SCHEMBL4032684 0.79 FGFR1 (0.43) IKBKEFGFR1SRCPLK1TBK1
SCHEMBL4040575 0.78 IKBKE (0.40) IKBKEFGFR1SRCPLK1TBK1
SCHEMBL4032649 0.77 IKBKE (0.39) IKBKEFGFR1SRCPLK1TBK1
SCHEMBL4035304 0.77 PLK1 (0.46) IKBKEFGFR1SRCPLK1TBK1
SCHEMBL4037644 0.77 IKBKE (0.53) IKBKEFGFR1SRCPLK1TBK1
SCHEMBL4035585 0.77 IKBKE (0.55) IKBKEFGFR1SRC
SCHEMBL4035204 0.76 IKBKE (0.38) IKBKEFGFR1SRCPLK1TBK1

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