SCHEMBL1667294

SCHEMBL1667294

CS(=O)(=O)N(CCO)c1cccc(Nc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 20/20 0.60
TBK1 Q9UHD2 20/20 0.60

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
SCHEMBL1667110 0.92 TBK1 (0.63) IKBKETBK1
SCHEMBL1667634 0.85 TBK1 (0.69) IKBKETBK1
SCHEMBL12275467 0.84 IKBKE (0.63) IKBKETBK1
SCHEMBL1667290 0.84 IKBKE (0.65) IKBKETBK1
SCHEMBL1667555 0.82 IKBKE (0.79) IKBKETBK1
SCHEMBL1667177 0.82 IKBKE (0.62) IKBKETBK1
SCHEMBL12274506 0.82 TBK1 (0.66) IKBKETBK1
SCHEMBL1667823 0.82 TBK1 (0.65) IKBKETBK1
SCHEMBL12274502 0.81 IKBKE (0.63) IKBKETBK1
SCHEMBL12274599 0.81 IKBKE (0.67) IKBKETBK1

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
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO claimed