SCHEMBL4035585

SCHEMBL4035585

COc1cc2ncn(C3=CC(OCCN4CCOCC4)C(=S)C(C#N)=C3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 6/20 0.55
SRC P12931 5/20 0.39
NSD2 O96028 2/20 0.38
PDGFRB P09619 2/20 0.38
EGFR P00533 1/20 0.37
KDR P35968 1/20 0.37
MAP2K1 Q02750 3/20 0.36
FGFR1 P11362 1/20 0.36
RAF1 P04049 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
CARM1 Q86X55 1/20 0.36

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
SCHEMBL4033243 0.85 IKBKE (0.64) IKBKESRCPDGFRBEGFRKDR
SCHEMBL4032259 0.83 IKBKE (0.40) IKBKESRCFGFR1
SCHEMBL4034367 0.81 PLK1 (0.44) IKBKESRCFGFR1
SCHEMBL4032684 0.81 FGFR1 (0.43) IKBKESRCFGFR1
SCHEMBL4037644 0.80 IKBKE (0.53) IKBKESRCKDRFGFR1
SCHEMBL4034530 0.78 IKBKE (0.41) IKBKESRCPDGFRBFGFR1
SCHEMBL4040312 0.77 IKBKE (0.42) IKBKESRCFGFR1
SCHEMBL4040575 0.77 IKBKE (0.40) IKBKESRCFGFR1
SCHEMBL4037455 0.77 IKBKE (0.40) IKBKESRCFGFR1
SCHEMBL4032649 0.76 IKBKE (0.39) IKBKESRCFGFR1

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