SCHEMBL6967922

SCHEMBL6967922

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1ccc(N2CCOCC2)cc1C

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.65
BRAF P15056 3/20 0.57
RAF1 P04049 2/20 0.57
MAPK13 O15264 1/20 0.56
HSPB1 P04792 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
SMO Q99835 1/20 0.56

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
SCHEMBL4831590 0.87 MAPK14 (0.63) MAPK14BRAFRAF1
SCHEMBL6975168 0.87 MAPK14 (0.61) MAPK14BRAFRAF1MAPK13HSPB1
SCHEMBL6975392 0.86 MAPK14 (0.53) MAPK14BRAFRAF1MAPK13SMO
SCHEMBL5897136 0.86 MAPK14 (0.75) MAPK14BRAFRAF1
SCHEMBL5897801 0.85 MAPK14 (0.79) MAPK14BRAFRAF1MAPK13
SCHEMBL16621429 0.85 MAPK14 (0.66) MAPK14BRAFRAF1MAPK13HSPB1
SCHEMBL4827771 0.84 MAPK14 (0.60) MAPK14BRAFRAF1
SCHEMBL7680447 0.84 MAPK14 (0.69) MAPK14BRAFRAF1MAPK13HSPB1
SCHEMBL5897092 0.84 MAPK14 (0.71) MAPK14BRAFRAF1MAPK13HSPB1
SCHEMBL7678484 0.84 MAPK14 (0.69) 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 4 patents. 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
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US claimed
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed