SCHEMBL28806404

SCHEMBL28806404

O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1ccc(C(=O)N2CCC(C(=O)c3ccc(C[SH](=O)=O)cc3)CC2)cn1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 20/20 0.79
▸ PRKAB2 O43741 16/20 0.79
▸ PRKAG1 P54619 16/20 0.79
▸ PRKAA1 Q13131 16/20 0.79
▸ PRKAG3 Q9UGI9 16/20 0.79
▸ PRKAG2 Q9UGJ0 16/20 0.79
▸ PRKAB1 Q9Y478 16/20 0.79
▸ CYP3A4 P08684 1/20 0.63

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
SCHEMBL517976 0.94 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10214249 0.90 PRKAA2 (0.82) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL27927338 0.90 PRKAB2 (0.79) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL519244 0.89 PRKAA2 (0.80) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518066 0.89 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518939 0.88 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518470 0.88 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL27927261 0.88 PRKAA2 (0.66) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518598 0.87 PRKAA2 (0.90) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518701 0.84 PRKAA2 (1.00) 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
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