SCHEMBL1667390

SCHEMBL1667390

Cc1ccc(Nc2nccc(-c3ccc(OC4CCN(C(=O)CO)C4)c(C#N)c3)n2)cc1C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.63
JAK2 O60674 10/20 0.63
IKBKE Q14164 3/20 0.52

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
SCHEMBL1667387 1.00 TBK1 (0.63) TBK1JAK2IKBKE
SCHEMBL13280443 0.92 TBK1 (0.62) TBK1JAK2IKBKE
SCHEMBL13279013 0.92 TBK1 (0.62) TBK1JAK2IKBKE
SCHEMBL13279563 0.91 TBK1 (0.63) TBK1JAK2IKBKE
SCHEMBL13279690 0.91 TBK1 (0.63) TBK1JAK2IKBKE
SCHEMBL12275113 0.90 TBK1 (0.63) TBK1JAK2IKBKE
SCHEMBL13279840 0.89 TBK1 (0.61) TBK1JAK2IKBKE
SCHEMBL13279846 0.89 TBK1 (0.61) TBK1JAK2IKBKE
SCHEMBL13279546 0.89 TBK1 (0.62) TBK1JAK2IKBKE
SCHEMBL13279543 0.89 TBK1 (0.62) TBK1JAK2IKBKE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP claimed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO claimed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed