SCHEMBL689607

SCHEMBL689607

COC(=O)Oc1cccc2cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)n(C)c12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.55
LYN P07948 1/20 0.44
MAPK9 P45984 1/20 0.44
SCARB1 Q8WTV0 6/20 0.42
BRAF P15056 4/20 0.41

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
SCHEMBL14276251 0.90 MAPK14 (0.54) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL1302956 0.88 MAPK14 (0.58) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13798002 0.88 MAPK14 (0.58) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL689699 0.87 MAPK14 (0.53) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL1303140 0.87 MAPK14 (0.58) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13798005 0.87 MAPK14 (0.59) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13359214 0.87 MAPK14 (0.59) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13986462 0.86 MAPK14 (0.55) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL5681346 0.86 MAPK14 (0.51) MAPK14LYNMAPK9
SCHEMBL14276184 0.86 MAPK14 (0.51) MAPK14LYNMAPK9BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP disclosed
EP-2323980-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed