SCHEMBL302445

SCHEMBL302445

NC(=O)c1cccc(-n2ccnn2)c1-n1ccnn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
NOTUM Q6P988 5/20 0.40
HCRTR1 O43613 7/20 0.39
HCRTR2 O43614 6/20 0.39
PARP1 P09874 4/20 0.37
NPC1 O15118 1/20 0.36
KEAP1 Q14145 1/20 0.36
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35

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
SCHEMBL17028392 0.86 NOTUM (0.41) NOTUMHCRTR1HCRTR2KEAP1L3MBTL1
SCHEMBL302446 0.86 HCRTR1 (0.46) MAPK9MAPK10NOTUMHCRTR1HCRTR2
SCHEMBL17910085 0.84 HCRTR1 (0.52) MAPK9MAPK10NOTUMHCRTR1HCRTR2
SCHEMBL17910087 0.84 HCRTR1 (0.43) MAPK9MAPK10NOTUMHCRTR1HCRTR2
SCHEMBL19554755 0.81 PARP1 (0.40) MAPK9MAPK10NOTUMHCRTR1HCRTR2
SCHEMBL19554756 0.80 PARP1 (0.39) MAPK9MAPK10NOTUMHCRTR1HCRTR2
SCHEMBL6429867 0.80 MAPK9 (0.41) MAPK9MAPK10NOTUMHCRTR1HCRTR2
SCHEMBL6429861 0.80 BCAT2 (0.51) MAPK9MAPK10PARP1NPC1KEAP1
SCHEMBL2754382 0.78 GRM5 (0.43) MAPK9MAPK10HCRTR1HCRTR2PARP1
SCHEMBL2754380 0.77 GRM5 (0.45) MAPK9MAPK10PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4850824-B2 2012-01-11 JP claimed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 EP claimed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 WO claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP claimed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO claimed
EP-3661510-A1 METHODS OF TREATING BEHAVIOR ALTERATIONS Oryzon Genomics, S.A. (ES) 2020-06-10 EP disclosed
WO-2019025588-A1 METHODS OF TREATING BEHAVIOR ALTERATIONS ORYZON GENOMICS, S.A. (ES) 2019-02-07 WO disclosed
EP-2655357-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS Merck Serono S.A. (CH) 2013-10-30 EP disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 WO disclosed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP disclosed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed