SCHEMBL12801656

SCHEMBL12801656

N/N=C(\N)c1cccc(Nc2nccc(-c3ccc(OC4CCOCC4)c(N)c3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 20/20 0.51
▸ TBK1 Q9UHD2 20/20 0.51

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
SCHEMBL12522267 0.89 TBK1 (0.66) IKBKETBK1
SCHEMBL12801583 0.87 IKBKE (0.56) IKBKETBK1
SCHEMBL12801266 0.85 IKBKE (0.54) IKBKETBK1
SCHEMBL12801672 0.85 TBK1 (0.57) IKBKETBK1
SCHEMBL12801655 0.84 IKBKE (0.60) IKBKETBK1
SCHEMBL12801677 0.83 ABL1 (0.53) IKBKETBK1
SCHEMBL12801719 0.83 JAK2 (0.55) IKBKETBK1
SCHEMBL12800406 0.82 JAK2 (0.56) IKBKETBK1
SCHEMBL12801714 0.82 ABL1 (0.55) IKBKETBK1
SCHEMBL12801086 0.82 IKBKE (0.56) 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 disclosed
Send feedback