SCHEMBL27927261

SCHEMBL27927261

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

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 20/20 0.66
PRKAB2 O43741 18/20 0.66
PRKAG1 P54619 18/20 0.66
PRKAA1 Q13131 18/20 0.66
PRKAG3 Q9UGI9 18/20 0.66
PRKAG2 Q9UGJ0 18/20 0.66
PRKAB1 Q9Y478 18/20 0.66
KCNH2 Q12809 1/20 0.55

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
SCHEMBL27909517 0.90 PRKAB2 (0.76) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL28806404 0.88 PRKAA2 (0.79) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL27927338 0.87 PRKAB2 (0.79) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL517976 0.81 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL517797 0.81 PRKAB2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL27909518 0.80 PRKAA2 (0.69) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518701 0.80 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10214249 0.80 PRKAA2 (0.82) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15164573 0.78 PRKAB2 (0.83) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10214320 0.78 PRKAA2 (0.76) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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