SCHEMBL690068

SCHEMBL690068

COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1NS(=O)(=O)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.38
LYN P07948 2/20 0.38
MAPK9 P45984 2/20 0.38
BRAF P15056 9/20 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
SCARB1 Q8WTV0 3/20 0.36
EPHX2 P34913 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
SCHEMBL690671 0.94 MAPK14 (0.41) MAPK14LYNMAPK9BRAFABL1
SCHEMBL689923 0.94 MAPK14 (0.41) MAPK14LYNMAPK9BRAFABL1
SCHEMBL690613 0.92 LYN (0.35) MAPK14LYNMAPK9BRAFABL1
SCHEMBL690439 0.91 SCARB1 (0.40) MAPK14LYNMAPK9BRAFABL1
SCHEMBL690851 0.91 EPHX2 (0.35) MAPK14LYNMAPK9BRAFABL1
SCHEMBL689757 0.91 ACKR3 (0.35) MAPK14LYNMAPK9BRAFABL1
SCHEMBL690468 0.91 LYN (0.39) MAPK14LYNMAPK9BRAFABL1
SCHEMBL689084 0.90 LYN (0.36) MAPK14LYNMAPK9BRAFABL1
SCHEMBL689675 0.90 ACKR3 (0.38) MAPK14LYNMAPK9SCARB1EPHX2
SCHEMBL690127 0.90 EPHX2 (0.35) MAPK14LYNMAPK9BRAFABL1

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