SCHEMBL6972611

SCHEMBL6972611

COc1ccc(C(=O)Nc2cc(NC(=O)c3ccnc(N4CCOCC4)c3)ccc2C)cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.57
MAPK13 O15264 1/20 0.48
HSPB1 P04792 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
BRAF P15056 3/20 0.48
RAF1 P04049 2/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6979962 0.90 MAPK14 (0.61) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6975779 0.88 MAPK14 (0.58) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6477326 0.88 MAPK14 (0.54) MAPK14MEN1ALDH1A1MAPTPKM
SCHEMBL6980605 0.87 MAPK14 (0.59) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL7835408 0.86 MAPK14 (0.63) MAPK14MAPK13BRAFRAF1
SCHEMBL7806485 0.84 MAPT (0.50) MAPK14MEN1ALDH1A1MAPTPKM
SCHEMBL6973786 0.84 MAPK14 (0.57) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6224025 0.84 MAPK14 (0.81) MAPK14BRAFRAF1
SCHEMBL7838250 0.84 MAPK14 (0.60) MAPK14BRAFRAF1
SCHEMBL6972614 0.83 TBK1 (0.47) BRAFRAF1MEN1ALDH1A1MAPT

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 2 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 disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed