SCHEMBL16615392

SCHEMBL16615392

CC[C@@H]1CN(Cc2ccc(C#N)cc2)CC[C@H]1NC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(S(C)(=O)=O)cc3)CC2)cn1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 13/20 0.83
PRKAB2 O43741 9/20 0.70
PRKAG1 P54619 9/20 0.70
PRKAA1 Q13131 9/20 0.70
PRKAG3 Q9UGI9 9/20 0.70
PRKAG2 Q9UGJ0 9/20 0.70
PRKAB1 Q9Y478 9/20 0.70
CYP3A4 P08684 1/20 0.61
KCNH2 Q12809 1/20 0.56

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
SCHEMBL518590 0.91 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518591 0.91 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15170913 0.91 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518592 0.91 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16615388 0.88 PRKAA2 (0.85) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL519323 0.88 PRKAA2 (0.90) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284174 0.83 PRKAA2 (0.85) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518489 0.83 PRKAA2 (0.85) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518239 0.83 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15170953 0.82 PRKAA2 (0.82) 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