SCHEMBL689461

SCHEMBL689461

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
EPHX2 P34913 1/20 0.34
LYN P07948 2/20 0.34
MAPK9 P45984 2/20 0.34
ACKR3 P25106 3/20 0.33
MAPK14 Q16539 5/20 0.33
SCARB1 Q8WTV0 1/20 0.32
PIK3CD O00329 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
DRD4 P21917 1/20 0.31
ABL1 P00519 1/20 0.31
EGFR P00533 1/20 0.31
RAF1 P04049 1/20 0.31
BRAF P15056 1/20 0.31
EPHA2 P29317 1/20 0.31
EPHA3 P29320 1/20 0.31
AKT1 P31749 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL691024 0.94 DHODH (0.34) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL690054 0.92 EPHX2 (0.34) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL689830 0.91 DHODH (0.36) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL689084 0.90 LYN (0.36) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL690479 0.89 LYN (0.35) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL689923 0.89 MAPK14 (0.41) LYNMAPK9MAPK14SCARB1ABL1
SCHEMBL690671 0.89 MAPK14 (0.41) LYNMAPK9MAPK14SCARB1ABL1
SCHEMBL690068 0.87 MAPK14 (0.38) EPHX2LYNMAPK9MAPK14SCARB1
SCHEMBL690848 0.86 DHODH (0.35) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL690127 0.85 EPHX2 (0.35) DHODHEPHX2LYNMAPK9ACKR3

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