SCHEMBL690557

SCHEMBL690557

COc1c(NC(=O)Oc2cc3cccc(CN4CCCN(C(=O)[C@H]5CCNC5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
SCARB1 Q8WTV0 3/20 0.39
LYN P07948 2/20 0.39
MAPK9 P45984 2/20 0.39
BRAF P15056 10/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHA3 P29320 1/20 0.38
AKT1 P31749 1/20 0.38

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
SCHEMBL691091 1.00 MAPK14 (0.40) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL688745 0.92 MAPK14 (0.42) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL1302801 0.91 LYN (0.41) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL721269 0.91 MAPK14 (0.41) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL691122 0.91 MAPK14 (0.41) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL1302452 0.91 LYN (0.41) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL689923 0.89 MAPK14 (0.41) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL690671 0.89 MAPK14 (0.41) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL1302493 0.88 MAPK14 (0.43) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL689471 0.88 SCARB1 (0.45) MAPK14SCARB1LYNMAPK9BRAF

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