SCHEMBL4604376

SCHEMBL4604376

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 2/20 0.56
PRKAB2 O43741 1/20 0.56
PRKAG1 P54619 1/20 0.56
PRKAA1 Q13131 1/20 0.56
PRKAG3 Q9UGI9 1/20 0.56
PRKAG2 Q9UGJ0 1/20 0.56
PRKAB1 Q9Y478 1/20 0.56
MAPK14 Q16539 9/20 0.56
MAPK11 Q15759 2/20 0.55
MAPK13 O15264 1/20 0.55
MAPT P10636 1/20 0.55
MAPK12 P53778 1/20 0.55
ERBB2 P04626 1/20 0.55
EPHX2 P34913 1/20 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
SCHEMBL4604275 0.91 PRKAB2 (0.63) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL4604812 0.91 MAPK14 (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2960045 0.91 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL2957638 0.90 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL4603694 0.89 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL6143107 0.87 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL6142656 0.86 MAPK14 (0.66) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL6143122 0.85 MAPK14 (0.57) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL2950992 0.84 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPTMAPK12
SCHEMBL4602180 0.84 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPTMAPK12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed