SCHEMBL689757

SCHEMBL689757

COc1c(CS(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)Oc1cc2cccc(CN3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2n1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.35
LYN P07948 2/20 0.34
MAPK9 P45984 2/20 0.34
GSK3A P49840 1/20 0.34
MAPK14 Q16539 7/20 0.34
EPHX2 P34913 1/20 0.34
SRC P12931 2/20 0.33
SYK P43405 2/20 0.33
BRAF P15056 2/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
RAF1 P04049 1/20 0.33
EPHA2 P29317 1/20 0.33
EPHA3 P29320 1/20 0.33
AKT1 P31749 1/20 0.33
SSTR5 P35346 1/20 0.33
SCARB1 Q8WTV0 2/20 0.33
DHODH Q02127 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL690613 0.93 LYN (0.35) ACKR3LYNMAPK9GSK3AMAPK14
SCHEMBL688611 0.92 ACKR3 (0.37) ACKR3LYNMAPK9GSK3AMAPK14
SCHEMBL690221 0.92 ACKR3 (0.36) ACKR3LYNMAPK9GSK3AMAPK14
SCHEMBL689851 0.91 EPHX2 (0.35) ACKR3LYNMAPK9GSK3AMAPK14
SCHEMBL689923 0.91 MAPK14 (0.41) LYNMAPK9MAPK14BRAFABL1
SCHEMBL690671 0.91 MAPK14 (0.41) LYNMAPK9MAPK14BRAFABL1
SCHEMBL690068 0.91 MAPK14 (0.38) LYNMAPK9MAPK14EPHX2BRAF
SCHEMBL690441 0.90 ACKR3 (0.35) ACKR3LYNMAPK9MAPK14EPHX2
Hydrochloric Acid SCHEMBL689832 0.90 EPHX2 (0.35) ACKR3LYNMAPK9GSK3AMAPK14
SCHEMBL690763 0.90 ACKR3 (0.37) ACKR3LYNMAPK9GSK3AMAPK14

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 6 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-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 claimed
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 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