SCHEMBL6975166

SCHEMBL6975166

CCN(CC)Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccnc(N4CCOCC4)c3)ccc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.65
MAPK13 O15264 1/20 0.57
HSPB1 P04792 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
RAF1 P04049 2/20 0.54
BRAF P15056 2/20 0.54

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
SCHEMBL7835554 0.93 MAPK14 (0.68) MAPK14RAF1BRAF
SCHEMBL6969309 0.93 MAPK14 (0.62) MAPK14RAF1BRAF
SCHEMBL6968275 0.92 MAPK14 (0.56) MAPK14HSPB1RAF1
SCHEMBL6975736 0.92 MAPK14 (0.56) MAPK14HSPB1RAF1
SCHEMBL7680447 0.88 MAPK14 (0.69) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6967919 0.87 MAPK14 (0.68) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL7675279 0.86 MAPK14 (0.65) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL27558565 0.85 MAPK1 (0.57) MAPK14
SCHEMBL6487809 0.85 MAPK14 (0.69) MAPK14
SCHEMBL6975168 0.84 MAPK14 (0.61) MAPK14MAPK13HSPB1MAPK12MAPK11

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 6 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
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed