SCHEMBL1669640

SCHEMBL1669640

N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1OC1CCNC1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.78
JAK2 O60674 7/20 0.78
IKBKE Q14164 6/20 0.67
JAK3 P52333 1/20 0.59

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
SCHEMBL12275278 1.00 TBK1 (0.78) TBK1JAK2IKBKEJAK3
SCHEMBL1667100 0.95 TBK1 (0.71) TBK1JAK2IKBKE
SCHEMBL1667619 0.94 TBK1 (0.68) TBK1JAK2IKBKEJAK3
SCHEMBL12275973 0.92 TBK1 (0.65) TBK1JAK2IKBKE
SCHEMBL20918397 0.91 TBK1 (0.80) TBK1JAK2
SCHEMBL29772697 0.90 TBK1 (0.76) TBK1JAK2IKBKE
SCHEMBL1667556 0.90 TBK1 (0.76) TBK1JAK2IKBKE
SCHEMBL1667172 0.89 TBK1 (0.69) TBK1JAK2IKBKE
SCHEMBL11962937 0.88 TBK1 (0.61) TBK1JAK2IKBKEJAK3
SCHEMBL1667659 0.88 TBK1 (0.70) 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