SCHEMBL13740774

SCHEMBL13740774

CC(C)NC(=O)c1ccc2cccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.57
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
PLK1 P53350 1/20 0.55
TRPM8 Q7Z2W7 12/20 0.55
EGLN1 Q9GZT9 1/20 0.54
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
HPGDS O60760 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 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
Hydrochloric Acid SCHEMBL13739996 0.99 RIPK1 (0.56) RIPK1TAS1R3TAS1R1PLK1TRPM8
SCHEMBL2299005 0.83 PLK1 (0.77) RIPK1PLK1TRPM8EGLN1ALOX15
SCHEMBL3362629 0.81 HDAC6 (0.65) PLK1TRPM8EGLN1HTTMEN1
SCHEMBL21642302 0.81 NPC1 (0.69) HTTMEN1KMT2A
SCHEMBL7954464 0.81 EGLN1 (0.48) TAS1R3TAS1R1PLK1TRPM8EGLN1
SCHEMBL24809084 0.80 ALDH1A1 (0.50) PLK1TRPM8EGLN1ALOX15HTT
SCHEMBL2671065 0.80 ALOX15 (0.77) PLK1EGLN1ALOX15HTTMEN1
SCHEMBL29893321 0.80 ALOX15 (0.77) PLK1EGLN1ALOX15HTTMEN1
SCHEMBL4066938 0.79 ALDH1A1 (0.58) RIPK1TRPM8ALOX15HTTHPGDS
SCHEMBL9360254 0.78 MEN1 (0.55) PLK1EGLN1ALOX15HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678329-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-01 EP disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 WO disclosed