SCHEMBL6970752

SCHEMBL6970752

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OC2CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.66
MAPK13 O15264 2/20 0.56
HSPB1 P04792 1/20 0.56
MAPK12 P53778 1/20 0.56
MAPK11 Q15759 1/20 0.56
SMO Q99835 1/20 0.52
RAF1 P04049 3/20 0.52
BRAF P15056 3/20 0.52

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
SCHEMBL6976106 0.92 MAPK14 (0.60) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6980605 0.89 MAPK14 (0.59) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6974083 0.88 MAPK14 (0.59) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6979962 0.87 MAPK14 (0.61) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL6476055 0.86 MAPK14 (0.67) MAPK14SMO
SCHEMBL6224722 0.85 MAPK14 (0.85) MAPK14RAF1BRAF
SCHEMBL6972715 0.85 MAPK14 (0.52) MAPK14SMORAF1BRAF
SCHEMBL7828018 0.84 MAPK14 (0.59) MAPK14RAF1BRAF
SCHEMBL6978609 0.81 MAPK14 (0.68) MAPK14MAPK13HSPB1MAPK12MAPK11
SCHEMBL7835408 0.81 MAPK14 (0.63) MAPK14MAPK13RAF1BRAF

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 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