SCHEMBL12801649

SCHEMBL12801649

Cc1ccc(Nc2nccc(-c3ccc(OC4CCOCC4)c(N)c3)n2)cc1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.56
IKBKE Q14164 14/20 0.49
TBK1 Q9UHD2 14/20 0.49
JAK3 P52333 1/20 0.49
CDK1 P06493 1/20 0.47
CDK2 P24941 1/20 0.47
SMG1 Q96Q15 1/20 0.47

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
SCHEMBL12801081 0.93 JAK2 (0.56) JAK2IKBKETBK1JAK3CDK1
SCHEMBL12801684 0.91 JAK2 (0.49) JAK2IKBKETBK1JAK3
SCHEMBL12801232 0.89 JAK2 (0.61) JAK2IKBKETBK1JAK3SMG1
SCHEMBL12801124 0.89 JAK2 (0.54) JAK2IKBKETBK1JAK3CDK1
SCHEMBL12801087 0.89 JAK2 (0.54) JAK2IKBKETBK1JAK3
SCHEMBL12801662 0.88 JAK2 (0.68) JAK2IKBKETBK1JAK3
SCHEMBL1667995 0.88 TBK1 (0.66) JAK2IKBKETBK1
SCHEMBL12801117 0.88 JAK2 (0.53) JAK2IKBKETBK1JAK3SMG1
SCHEMBL12801131 0.87 IKBKE (0.51) JAK2IKBKETBK1
SCHEMBL12801095 0.87 JAK2 (0.56) JAK2IKBKETBK1JAK3CDK2

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 disclosed