SCHEMBL27909517

SCHEMBL27909517

CCCC(=N)c1ccc(CN2CCC(NC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(OC)cc5)CC4)cn3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 16/20 0.76
PRKAG1 P54619 16/20 0.76
PRKAA2 P54646 16/20 0.76
PRKAA1 Q13131 16/20 0.76
PRKAG3 Q9UGI9 16/20 0.76
PRKAG2 Q9UGJ0 16/20 0.76
PRKAB1 Q9Y478 16/20 0.76
KCNH2 Q12809 1/20 0.69
CYP3A4 P08684 2/20 0.65

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
SCHEMBL517797 0.92 PRKAB2 (0.89) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27927261 0.90 PRKAA2 (0.66) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15164573 0.89 PRKAB2 (0.83) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL518470 0.88 PRKAA2 (0.89) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL518939 0.88 PRKAA2 (0.89) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL518529 0.87 PRKAA2 (0.90) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27927338 0.87 PRKAB2 (0.79) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL518517 0.87 PRKAA2 (1.00) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL518266 0.86 PRKAA2 (0.90) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL518525 0.86 PRKAA2 (0.90) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
CN-103201267-A AMPK-activating heterocyclic compounds and methods of use thereof RIGEL PHARMACEUTICALS INC 2013-07-10 CN claimed