SCHEMBL16615399

SCHEMBL16615399

C=C(c1ccc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)nc1)N1CC[C@H](Oc2ccc(F)cc2)C1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 20/20 0.66
PRKAB2 O43741 10/20 0.64
PRKAG1 P54619 10/20 0.64
PRKAA1 Q13131 10/20 0.64
PRKAG3 Q9UGI9 10/20 0.64
PRKAG2 Q9UGJ0 10/20 0.64
PRKAB1 Q9Y478 10/20 0.64
CYP3A4 P08684 1/20 0.64

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
SCHEMBL518147 0.92 PRKAA2 (0.72) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518148 0.92 PRKAA2 (0.72) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518642 0.88 PRKAA2 (0.80) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518326 0.87 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518325 0.87 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518289 0.86 PRKAA2 (0.84) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL519193 0.86 PRKAA2 (0.84) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518290 0.86 PRKAA2 (0.84) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518898 0.85 PRKAA2 (0.81) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518968 0.85 PRKAA2 (0.81) 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