SCHEMBL16615397

SCHEMBL16615397

C=C(c1ccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)nc1)N1CCN(C(=O)c2ccc(OC)cc2)CC1

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 18/20 0.89
PRKAB2 O43741 15/20 0.89
PRKAG1 P54619 15/20 0.89
PRKAA1 Q13131 15/20 0.89
PRKAG3 Q9UGI9 15/20 0.89
PRKAG2 Q9UGJ0 15/20 0.89
PRKAB1 Q9Y478 15/20 0.89
CYP3A4 P08684 2/20 0.78
KCNH2 Q12809 1/20 0.73

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
SCHEMBL519005 0.94 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518766 0.93 PRKAA2 (0.97) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518475 0.93 PRKAA2 (0.97) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518529 0.88 PRKAA2 (0.90) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518146 0.88 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518324 0.88 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518845 0.88 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518208 0.87 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518520 0.87 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284366 0.86 PRKAB2 (0.86) 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
WO-2015048547-A2 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-04-02 WO disclosed