SCHEMBL12801655

SCHEMBL12801655

Nc1cc(-c2ccnc(Nc3cccc(CO)c3)n2)ccc1OC1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 20/20 0.60
TBK1 Q9UHD2 20/20 0.60

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
SCHEMBL12801078 0.90 IKBKE (0.61) IKBKETBK1
SCHEMBL12801583 0.89 IKBKE (0.56) IKBKETBK1
SCHEMBL12801127 0.89 TBK1 (0.51) IKBKETBK1
SCHEMBL12801369 0.88 JAK2 (0.59) IKBKETBK1
SCHEMBL13467396 0.88 IKBKE (0.55) IKBKETBK1
SCHEMBL12800408 0.88 JAK2 (0.55) IKBKETBK1
SCHEMBL12522278 0.88 IKBKE (0.53) IKBKETBK1
SCHEMBL12801266 0.88 IKBKE (0.54) IKBKETBK1
SCHEMBL1667555 0.87 IKBKE (0.79) IKBKETBK1
SCHEMBL12801672 0.87 TBK1 (0.57) 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