SCHEMBL689381

SCHEMBL689381

COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)CN5CC[C@@H](O)C5)CC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.42
SCARB1 Q8WTV0 3/20 0.40
LYN P07948 2/20 0.40
MAPK9 P45984 2/20 0.40
BRAF P15056 8/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHA3 P29320 1/20 0.38
AKT1 P31749 1/20 0.38
GSK3A P49840 2/20 0.37
SRC P12931 1/20 0.37
SYK P43405 1/20 0.37

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
SCHEMBL689721 1.00 MAPK14 (0.42) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL689894 0.92 MAPK14 (0.40) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL690553 0.92 MAPK14 (0.40) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL688407 0.91 MAPK14 (0.45) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL688999 0.91 MAPK14 (0.45) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL689930 0.91 MAPK14 (0.41) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL689565 0.90 MAPK14 (0.43) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL690799 0.90 MAPK14 (0.43) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL689929 0.89 MAPK14 (0.43) MAPK14SCARB1LYNMAPK9BRAF
SCHEMBL688989 0.89 MAPK14 (0.42) MAPK14SCARB1LYNMAPK9BRAF

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