SCHEMBL6978667

SCHEMBL6978667

Cc1ccc(NC(=O)Oc2ccnc(N3CCOCC3)c2)cc1NC(=O)c1ccc(CN(C)CCCN(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.55
RAF1 P04049 2/20 0.45
BRAF P15056 2/20 0.45
SMO Q99835 1/20 0.45
MAPK13 O15264 1/20 0.45
HSPB1 P04792 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45

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
SCHEMBL7675279 0.90 MAPK14 (0.65) MAPK14RAF1BRAFMAPK13HSPB1
SCHEMBL6979212 0.83 MAPK14 (0.55) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6980077 0.82 MAPK14 (0.55) MAPK14SMO
SCHEMBL6974176 0.82 MAPK14 (0.54) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL6970377 0.80 MAPK14 (0.53) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6975392 0.78 MAPK14 (0.53) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6968978 0.78 MAPK14 (0.54) MAPK14RAF1BRAFSMO
SCHEMBL6967836 0.78 MAPK14 (0.70) MAPK14RAF1BRAFSMO
SCHEMBL6964508 0.77 MAPK14 (0.51) MAPK14RAF1BRAFSMO
SCHEMBL6977536 0.77 MAPK14 (0.55) MAPK14RAF1BRAFSMO

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