SCHEMBL690613

SCHEMBL690613

COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK14 Q16539 7/20 0.35
EPHX2 P34913 1/20 0.35
ACKR3 P25106 3/20 0.34
SSTR5 P35346 1/20 0.34
BRAF P15056 3/20 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
DHODH Q02127 1/20 0.34
SCARB1 Q8WTV0 2/20 0.34
SRC P12931 2/20 0.33
SYK P43405 2/20 0.33
GSK3A P49840 1/20 0.33
WNT3 P56703 1/20 0.32
SFRP1 Q8N474 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
SCHEMBL689757 0.93 ACKR3 (0.35) LYNMAPK9MAPK14EPHX2ACKR3
SCHEMBL689923 0.92 MAPK14 (0.41) LYNMAPK9MAPK14BRAFABL1
SCHEMBL690671 0.92 MAPK14 (0.41) LYNMAPK9MAPK14BRAFABL1
SCHEMBL690068 0.92 MAPK14 (0.38) LYNMAPK9MAPK14EPHX2BRAF
SCHEMBL690851 0.92 EPHX2 (0.35) LYNMAPK9MAPK14EPHX2ACKR3
SCHEMBL689851 0.91 EPHX2 (0.35) LYNMAPK9MAPK14EPHX2ACKR3
SCHEMBL690221 0.91 ACKR3 (0.36) LYNMAPK9MAPK14EPHX2ACKR3
SCHEMBL688611 0.91 ACKR3 (0.37) LYNMAPK9MAPK14EPHX2ACKR3
Hydrochloric Acid SCHEMBL689832 0.91 EPHX2 (0.35) LYNMAPK9MAPK14EPHX2ACKR3
SCHEMBL689675 0.91 ACKR3 (0.38) LYNMAPK9MAPK14EPHX2ACKR3

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