SCHEMBL6977319

SCHEMBL6977319

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1ccc(CNCC(C)(C)CN(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.64
MAPK13 O15264 1/20 0.52
HSPB1 P04792 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
BRAF P15056 3/20 0.51
RAF1 P04049 2/20 0.51

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
SCHEMBL6978720 0.93 MAPK14 (0.63) MAPK14BRAFRAF1
SCHEMBL6979212 0.90 MAPK14 (0.55) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL7857295 0.89 MAPK14 (0.65) MAPK14BRAFRAF1
SCHEMBL6977536 0.84 MAPK14 (0.55) MAPK14BRAFRAF1
SCHEMBL6980707 0.83 MAPK14 (0.67) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL7680447 0.83 MAPK14 (0.69) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6967919 0.82 MAPK14 (0.68) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6975166 0.81 MAPK14 (0.65) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL7675279 0.81 MAPK14 (0.65) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL5897115 0.78 MAPK14 (0.65) MAPK14BRAFRAF1

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