SCHEMBL1667110

SCHEMBL1667110

CS(=O)(=O)N(CCO)c1ccc(Nc2nccc(-c3ccc(OC4CCOCC4)c(C#N)c3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.63
IKBKE Q14164 19/20 0.63

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
SCHEMBL1667294 0.92 IKBKE (0.60) TBK1IKBKE
SCHEMBL1667823 0.89 TBK1 (0.65) TBK1IKBKE
SCHEMBL12274506 0.88 TBK1 (0.66) TBK1IKBKE
SCHEMBL1669891 0.88 IKBKE (0.57) TBK1IKBKE
SCHEMBL1667109 0.84 IKBKE (0.68) TBK1IKBKE
SCHEMBL1667335 0.84 IKBKE (0.45) TBK1IKBKE
SCHEMBL1667527 0.83 IKBKE (0.80) TBK1IKBKE
SCHEMBL1667176 0.83 TBK1 (0.65) TBK1IKBKE
SCHEMBL1669648 0.83 TBK1 (0.65) TBK1IKBKE
SCHEMBL13279962 0.83 IKBKE (0.66) TBK1IKBKE

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