SCHEMBL5785264

SCHEMBL5785264

Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1cc(N2CCN(CC(=O)O)CC2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.54
MAPK11 Q15759 16/20 0.54
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
PARP1 P09874 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2947726 0.91 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12PARP1
SCHEMBL5805476 0.90 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12PARP1
SCHEMBL5784669 0.88 MAPK11 (0.47) MAPK14MAPK11
SCHEMBL5784686 0.88 MAPK11 (0.47) MAPK14MAPK11
SCHEMBL1140539 0.87 MAPK11 (0.56) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1140684 0.86 MAPK11 (0.55) MAPK14MAPK11MAPK13MAPK12NPC1
SCHEMBL1140244 0.86 MAPK11 (0.55) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5786079 0.86 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1140051 0.85 MAPK11 (0.54) MAPK14MAPK11MAPK13MAPK12NPC1
SCHEMBL1140325 0.85 MAPK11 (0.54) MAPK14MAPK11MAPK13MAPK12

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-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 EP disclosed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 WO disclosed