SCHEMBL4034652

SCHEMBL4034652

COc1cc2ncn(C3=CC(OCc4ccccc4S(C)(=O)=O)C(=S)C(C#N)=C3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.57
IKBKE Q14164 7/20 0.57
TBK1 Q9UHD2 1/20 0.57
FGFR1 P11362 3/20 0.38
SRC P12931 3/20 0.38
PLK3 Q9H4B4 2/20 0.35
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
JAK2 O60674 1/20 0.34
CHEK2 O96017 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CDK1 P06493 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
MET P08581 1/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL4033043 0.84 PLK1 (0.48) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4032649 0.82 IKBKE (0.39) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4040575 0.81 IKBKE (0.40) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4034530 0.81 IKBKE (0.41) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4035204 0.81 IKBKE (0.38) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4036831 0.81 PLK1 (0.46) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4032684 0.80 FGFR1 (0.43) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4040312 0.80 IKBKE (0.42) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4034367 0.80 PLK1 (0.44) PLK1IKBKETBK1FGFR1SRC
SCHEMBL4038228 0.80 IKBKE (0.61) PLK1IKBKETBK1FGFR1SRC

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