SCHEMBL690125

SCHEMBL690125

COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(C)(C)C)cc1C(=O)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
SSTR5 P35346 1/20 0.38
GSK3A P49840 4/20 0.36
DRD4 P21917 3/20 0.36
EPHX2 P34913 1/20 0.34
ACKR3 P25106 2/20 0.34
LYN P07948 1/20 0.34
MAPK9 P45984 1/20 0.34
SRC P12931 1/20 0.34
SYK P43405 1/20 0.34
JAK1 P23458 2/20 0.33
SLC6A12 P48065 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
JAK3 P52333 1/20 0.33
TYK2 P29597 1/20 0.33

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) MAPK14SSTR5GSK3AEPHX2ACKR3
SCHEMBL689447 0.94 MAPK14 (0.35) MAPK14SSTR5GSK3AEPHX2ACKR3
SCHEMBL688881 0.93 MAPK14 (0.35) MAPK14SSTR5GSK3AEPHX2ACKR3
SCHEMBL688396 0.93 MAPK14 (0.34) MAPK14SSTR5GSK3AEPHX2ACKR3
SCHEMBL689462 0.92 EPHX2 (0.35) MAPK14SSTR5GSK3ADRD4EPHX2
SCHEMBL689945 0.91 MAPK14 (0.43) MAPK14SSTR5GSK3ADRD4ACKR3
SCHEMBL690851 0.91 EPHX2 (0.35) MAPK14SSTR5EPHX2ACKR3LYN
SCHEMBL689851 0.90 EPHX2 (0.35) MAPK14SSTR5GSK3AEPHX2ACKR3
SCHEMBL688611 0.90 ACKR3 (0.37) MAPK14SSTR5GSK3ADRD4EPHX2
SCHEMBL690221 0.90 ACKR3 (0.36) MAPK14SSTR5GSK3AEPHX2ACKR3

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 2 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