SCHEMBL4034367

SCHEMBL4034367

COc1cc2ncn(C3=CC(OCCc4ccccc4)C(=S)C(C#N)=C3)c2cc1OC

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.44
FGFR1 P11362 3/20 0.43
SRC P12931 2/20 0.43
IKBKE Q14164 8/20 0.40
TBK1 Q9UHD2 1/20 0.37
CYP1A2 P05177 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL4032684 0.90 FGFR1 (0.43) PLK1FGFR1SRCIKBKETBK1
SCHEMBL4034530 0.88 IKBKE (0.41) PLK1FGFR1SRCIKBKETBK1
SCHEMBL4040312 0.83 IKBKE (0.42) PLK1FGFR1SRCIKBKETBK1
SCHEMBL4040575 0.82 IKBKE (0.40) PLK1FGFR1SRCIKBKETBK1
SCHEMBL4036831 0.81 PLK1 (0.46) PLK1FGFR1SRCIKBKETBK1
SCHEMBL4035304 0.81 PLK1 (0.46) PLK1FGFR1SRCIKBKETBK1
SCHEMBL4035585 0.81 IKBKE (0.55) FGFR1SRCIKBKE
SCHEMBL4033043 0.80 PLK1 (0.48) PLK1FGFR1SRCIKBKETBK1
SCHEMBL4034652 0.80 PLK1 (0.57) PLK1FGFR1SRCIKBKETBK1
SCHEMBL4032649 0.80 IKBKE (0.39) PLK1FGFR1SRCIKBKETBK1

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