SCHEMBL6979925

SCHEMBL6979925

CCN(CC)c1cccc(C(=O)Nc2cc(NC(=O)Oc3ccnc(N4CCOCC4)c3)ccc2C)c1C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.50
SMO Q99835 1/20 0.43
RAF1 P04049 5/20 0.42
BRAF P15056 5/20 0.42
GBA1 P04062 1/20 0.41

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
SCHEMBL6969315 0.88 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL6964508 0.87 MAPK14 (0.51) MAPK14SMORAF1BRAFGBA1
SCHEMBL6975392 0.81 MAPK14 (0.53) MAPK14SMORAF1BRAF
SCHEMBL6965031 0.79 MAPK14 (0.42) MAPK14SMORAF1GBA1
SCHEMBL6968978 0.77 MAPK14 (0.54) MAPK14SMORAF1BRAF
SCHEMBL6978401 0.75 MAPK14 (0.52) MAPK14SMORAF1BRAF
SCHEMBL6972715 0.75 MAPK14 (0.52) MAPK14SMORAF1BRAF
SCHEMBL6978667 0.75 MAPK14 (0.55) MAPK14SMORAF1BRAF
SCHEMBL6978092 0.75 MAPK14 (0.54) MAPK14SMORAF1BRAF
SCHEMBL6977536 0.75 MAPK14 (0.55) MAPK14SMORAF1BRAF

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