SCHEMBL690048

SCHEMBL690048

COc1c(NC(=O)Oc2cc3cccc(CN4CCCNCC4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.46
BRAF P15056 6/20 0.41
LYN P07948 2/20 0.41
MAPK9 P45984 2/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
EPHA2 P29317 1/20 0.41
EPHA3 P29320 1/20 0.41
AKT1 P31749 1/20 0.41
SCARB1 Q8WTV0 3/20 0.40
GSK3A P49840 4/20 0.40

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
Hydrochloric Acid SCHEMBL688623 0.96 MAPK14 (0.47) MAPK14BRAFLYNMAPK9ABL1
SCHEMBL689929 0.91 MAPK14 (0.43) MAPK14BRAFLYNMAPK9ABL1
SCHEMBL1302721 0.89 MAPK14 (0.47) MAPK14BRAFLYNMAPK9ABL1
SCHEMBL688407 0.88 MAPK14 (0.45) MAPK14BRAFLYNMAPK9ABL1
SCHEMBL690557 0.86 MAPK14 (0.40) MAPK14BRAFLYNMAPK9ABL1
SCHEMBL691091 0.86 MAPK14 (0.40) MAPK14BRAFLYNMAPK9ABL1
SCHEMBL1303413 0.86 MAPK14 (0.49) MAPK14BRAFLYNMAPK9ABL1
SCHEMBL689626 0.86 MAPK14 (0.35) MAPK14BRAFLYNMAPK9ABL1
Hydrochloric Acid SCHEMBL1302646 0.85 MAPK14 (0.49) MAPK14BRAFLYNMAPK9ABL1
SCHEMBL689351 0.85 MAPK14 (0.49) MAPK14BRAFLYNMAPK9ABL1

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 1 patent. 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 disclosed