SCHEMBL4034533

SCHEMBL4034533

COc1cc2ncn(-c3cc(OCCc4ccccc4Cl)c(C#N)s3)c2cc1OC

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 14/20 0.67
PLK1 P53350 9/20 0.66
TBK1 Q9UHD2 1/20 0.65
PLK3 Q9H4B4 2/20 0.57

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
SCHEMBL4033774 0.87 PLK1 (0.68) IKBKEPLK1TBK1
SCHEMBL4032682 0.84 IKBKE (0.67) IKBKEPLK1TBK1
SCHEMBL4032804 0.84 IKBKE (0.80) IKBKEPLK1TBK1PLK3
SCHEMBL6214432 0.82 PLK1 (0.84) IKBKEPLK1PLK3
SCHEMBL4032265 0.80 IKBKE (1.00) IKBKEPLK1TBK1PLK3
SCHEMBL4038453 0.79 IKBKE (1.00) IKBKEPLK1TBK1PLK3
SCHEMBL4033041 0.79 IKBKE (0.79) IKBKEPLK1TBK1PLK3
Gsk-319347A SCHEMBL29493088 0.79 IKBKE (1.00) IKBKEPLK1TBK1PLK3
Gsk-319347A SCHEMBL29712606 0.79 IKBKE (1.00) IKBKEPLK1TBK1PLK3
Gsk-319347A SCHEMBL3413628 0.79 IKBKE (1.00) IKBKEPLK1TBK1PLK3

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