SCHEMBL4701717

SCHEMBL4701717

Cc1ccc(NC(=O)c2ccsc2)cc1-c1ccc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.75
KDM4E B2RXH2 1/20 0.54
PKM P14618 1/20 0.54
HSPB1 P04792 2/20 0.54
EPHA3 P29320 1/20 0.53
FRK P42685 1/20 0.53
RAF1 P04049 1/20 0.52
LYN P07948 1/20 0.52

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
SCHEMBL4704264 0.89 MAPK14 (0.83) MAPK14HSPB1RAF1LYN
SCHEMBL4812425 0.87 MAPK14 (1.00) MAPK14HSPB1
SCHEMBL4701894 0.86 MAPK14 (0.75) MAPK14KDM4EPKMHSPB1RAF1
SCHEMBL4701715 0.82 MAPK14 (0.72) MAPK14HSPB1EPHA3FRKRAF1
SCHEMBL5112623 0.80 MAPK14 (0.72) MAPK14KDM4EPKMHSPB1
SCHEMBL4818740 0.79 MAPK14 (0.74) MAPK14HSPB1EPHA3FRK
SCHEMBL4820863 0.76 MAPK14 (0.74) MAPK14HSPB1
SCHEMBL4814686 0.76 MAPK14 (0.69) MAPK14HSPB1EPHA3FRK
SCHEMBL4819879 0.75 MAPK14 (1.00) MAPK14HSPB1
SCHEMBL13947430 0.75 KDM4E (0.80) KDM4EPKM

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-1436272-B1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-05-07 EP claimed