SCHEMBL6975736

SCHEMBL6975736

CCN(CC)Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccnc(N4CCCCC4)c3)ccc2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.56
RAF1 P04049 1/20 0.56
HSPB1 P04792 1/20 0.56
LYN P07948 1/20 0.56
LCK P06239 1/20 0.49
MAP2K1 Q02750 1/20 0.49

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
SCHEMBL6968275 0.99 MAPK14 (0.56) MAPK14RAF1HSPB1LYNLCK
SCHEMBL6975166 0.92 MAPK14 (0.65) MAPK14RAF1HSPB1
SCHEMBL7835554 0.85 MAPK14 (0.68) MAPK14RAF1
SCHEMBL6969309 0.84 MAPK14 (0.62) MAPK14RAF1
SCHEMBL6975740 0.83 MAPK14 (0.53) MAPK14RAF1HSPB1LYNLCK
SCHEMBL6970346 0.83 MAPK14 (0.51) MAPK14RAF1
SCHEMBL6968279 0.82 MAPK14 (0.52) MAPK14RAF1HSPB1LYNLCK
SCHEMBL6483995 0.81 MAPK14 (0.60) MAPK14
SCHEMBL6477941 0.80 MAPK14 (0.61) MAPK14
SCHEMBL6979840 0.79 HPGDS (0.61) MAPK14RAF1HSPB1LYNLCK

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