SCHEMBL691275

SCHEMBL691275

COc1c(NC(=O)Oc2cc3cccc(Br)c3n2C)cc(CC(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 0.31
EDNRA P25101 4/20 0.31
LYN P07948 1/20 0.31
MAPK9 P45984 1/20 0.31
FBP1 P09467 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1301449 0.87 MAPK14 (0.42) MAPK14EDNRALYNMAPK9FBP1
SCHEMBL691096 0.85 MAPK14 (0.56) MAPK14SCARB1LYNMAPK9
SCHEMBL689626 0.83 MAPK14 (0.35) MAPK14SCARB1LYNMAPK9
SCHEMBL690054 0.78 EPHX2 (0.34) MAPK14LYNMAPK9MEN1KMT2A
SCHEMBL692538 0.75 MAPK14 (0.57) MAPK14SCARB1LYNMAPK9
SCHEMBL690685 0.73 MAPK14 (0.54) MAPK14SCARB1LYNMAPK9
SCHEMBL1303140 0.72 MAPK14 (0.58) MAPK14SCARB1LYNMAPK9
SCHEMBL1303496 0.71 MAPK14 (0.37) MAPK14LYNMAPK9FBP1
Hydrochloric Acid SCHEMBL688623 0.69 MAPK14 (0.47) MAPK14SCARB1LYNMAPK9
SCHEMBL689667 0.69 MAPK14 (0.43) MAPK14SCARB1LYNMAPK9

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