SCHEMBL6964508

SCHEMBL6964508

CCN(CC)c1ccc(C(=O)Nc2cc(NC(=O)Oc3ccnc(N4CCOCC4)c3)ccc2C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.51
GBA1 P04062 1/20 0.48
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
BRAF P15056 2/20 0.43
RAF1 P04049 1/20 0.43
SMO Q99835 1/20 0.43

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
SCHEMBL6965031 0.92 MAPK14 (0.42) MAPK14GBA1RAF1SMO
SCHEMBL6975168 0.88 MAPK14 (0.61) MAPK14GBA1BRAFRAF1
SCHEMBL6975392 0.87 MAPK14 (0.53) MAPK14BRAFRAF1SMO
SCHEMBL6979925 0.87 MAPK14 (0.50) MAPK14GBA1BRAFRAF1SMO
SCHEMBL6978912 0.85 MAPK14 (0.46) MAPK14GBA1CASP1CASP7BRAF
SCHEMBL6968279 0.80 MAPK14 (0.52) MAPK14RAF1
SCHEMBL6975740 0.80 MAPK14 (0.53) MAPK14RAF1
SCHEMBL6978667 0.77 MAPK14 (0.55) MAPK14BRAFRAF1SMO
SCHEMBL6977507 0.77 GBA1 (0.52) MAPK14GBA1BRAFRAF1SMO
SCHEMBL6967836 0.76 MAPK14 (0.70) MAPK14BRAFRAF1SMO

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-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP claimed