SCHEMBL689447

SCHEMBL689447

COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1C(=O)NC(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.35
EPHX2 P34913 1/20 0.34
ACKR3 P25106 3/20 0.34
SSTR5 P35346 1/20 0.33
GSK3A P49840 7/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SRC P12931 2/20 0.32
SYK P43405 2/20 0.32
DHODH Q02127 1/20 0.32
LYN P07948 1/20 0.31
MAPK9 P45984 1/20 0.31
TSHR P16473 1/20 0.31
SCARB1 Q8WTV0 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
SCHEMBL689931 0.94 MAPK14 (0.36) MAPK14EPHX2ACKR3SSTR5GSK3A
SCHEMBL690125 0.94 MAPK14 (0.42) MAPK14EPHX2ACKR3SSTR5GSK3A
SCHEMBL688881 0.93 MAPK14 (0.35) MAPK14EPHX2ACKR3SSTR5GSK3A
SCHEMBL688396 0.93 MAPK14 (0.34) MAPK14EPHX2ACKR3SSTR5GSK3A
SCHEMBL690127 0.92 EPHX2 (0.35) MAPK14EPHX2ACKR3SSTR5GSK3A
SCHEMBL689462 0.92 EPHX2 (0.35) MAPK14EPHX2ACKR3SSTR5GSK3A
SCHEMBL690441 0.91 ACKR3 (0.35) MAPK14EPHX2ACKR3SSTR5KDM4E
SCHEMBL690851 0.91 EPHX2 (0.35) MAPK14EPHX2ACKR3SSTR5KDM4E
SCHEMBL689851 0.90 EPHX2 (0.35) MAPK14EPHX2ACKR3SSTR5GSK3A
SCHEMBL691171 0.90 ACKR3 (0.36) MAPK14EPHX2ACKR3SSTR5GSK3A

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