SCHEMBL690439

SCHEMBL690439

CCCS(=O)(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 8/20 0.40
LYN P07948 2/20 0.36
MAPK9 P45984 2/20 0.36
MAPK14 Q16539 5/20 0.36
BRAF P15056 4/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHA3 P29320 1/20 0.34
AKT1 P31749 1/20 0.34
EPHX2 P34913 1/20 0.33
ACKR3 P25106 1/20 0.32

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 0.91 MAPK14 (0.41) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL689923 0.91 MAPK14 (0.41) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690068 0.91 MAPK14 (0.38) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690749 0.91 SCARB1 (0.41) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL689645 0.90 SSTR5 (0.35) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690613 0.90 LYN (0.35) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690636 0.90 EPHX2 (0.35) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690851 0.90 EPHX2 (0.35) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL690127 0.89 EPHX2 (0.35) SCARB1LYNMAPK9MAPK14BRAF
SCHEMBL689675 0.89 ACKR3 (0.38) SCARB1LYNMAPK9MAPK14EPHX2

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