SCHEMBL525703

SCHEMBL525703

O=C(NC1CCN(CCc2ccccc2)CC1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 20/20 0.82
PRKAB2 O43741 11/20 0.82
PRKAG1 P54619 11/20 0.82
PRKAA1 Q13131 11/20 0.82
PRKAG3 Q9UGI9 11/20 0.82
PRKAG2 Q9UGJ0 11/20 0.82
PRKAB1 Q9Y478 11/20 0.82

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
SCHEMBL517725 0.90 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518027 0.89 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL517930 0.88 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518767 0.88 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518079 0.88 PRKAA2 (0.84) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518955 0.87 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518821 0.87 PRKAA2 (0.83) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10269753 0.85 PRKAA2 (0.83) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518409 0.85 PRKAA2 (0.88) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518478 0.84 PRKAA2 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP claimed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO claimed
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed