SCHEMBL6979778

SCHEMBL6979778

Cc1ccc(NC(=O)Oc2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(CNCCCN2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.56
SMO Q99835 1/20 0.46
RAF1 P04049 2/20 0.44
BRAF P15056 2/20 0.44

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
SCHEMBL6966955 0.91 MAPK14 (0.67) MAPK14
SCHEMBL6980077 0.90 MAPK14 (0.55) MAPK14SMO
SCHEMBL6978092 0.85 MAPK14 (0.54) MAPK14SMORAF1BRAF
SCHEMBL6968978 0.85 MAPK14 (0.54) MAPK14SMORAF1BRAF
SCHEMBL7834857 0.84 MAPK14 (0.69) MAPK14
SCHEMBL6977536 0.84 MAPK14 (0.55) MAPK14SMORAF1BRAF
SCHEMBL6972777 0.81 HPGDS (0.55) MAPK14RAF1BRAF
SCHEMBL6980707 0.81 MAPK14 (0.67) MAPK14RAF1BRAF
SCHEMBL6976381 0.81 HPGDS (0.54) MAPK14RAF1BRAF
SCHEMBL6978401 0.79 MAPK14 (0.52) 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