SCHEMBL690141

SCHEMBL690141

COc1c(NC(=O)Oc2cc3cccc(CN4CCC(C(=O)N5CC[C@@H](N(C)C)C5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 3/20 0.42
MAPK14 Q16539 6/20 0.41
BRAF P15056 10/20 0.39
LYN P07948 2/20 0.39
MAPK9 P45984 2/20 0.39
ABL1 P00519 1/20 0.39
EGFR P00533 1/20 0.39
RAF1 P04049 1/20 0.39
EPHA2 P29317 1/20 0.39
EPHA3 P29320 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL689908 1.00 SCARB1 (0.42) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL690471 0.91 SCARB1 (0.42) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL688907 0.91 SCARB1 (0.42) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL689471 0.90 SCARB1 (0.45) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL689894 0.90 MAPK14 (0.40) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL690553 0.90 MAPK14 (0.40) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL689930 0.88 MAPK14 (0.41) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL688745 0.86 MAPK14 (0.42) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL691122 0.85 MAPK14 (0.41) SCARB1MAPK14BRAFLYNMAPK9
SCHEMBL721269 0.85 MAPK14 (0.41) SCARB1MAPK14BRAFLYNMAPK9

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 4 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 claimed
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