SCHEMBL22268945

SCHEMBL22268945

C=C(c1ccc(C(=O)NC2CCN(Cc3ccc(OC)cc3)CC2)nc1)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 16/20 0.81
▸ PRKAB2 O43741 15/20 0.81
▸ PRKAG1 P54619 15/20 0.81
▸ PRKAA1 Q13131 15/20 0.81
▸ PRKAG3 Q9UGI9 15/20 0.81
▸ PRKAG2 Q9UGJ0 15/20 0.81
▸ PRKAB1 Q9Y478 15/20 0.81
▸ KCNH2 Q12809 1/20 0.68

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
SCHEMBL518939 0.92 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518470 0.92 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL517920 0.90 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL517797 0.88 PRKAB2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518456 0.86 PRKAB2 (0.79) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284156 0.86 PRKAA2 (0.61) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284366 0.85 PRKAB2 (0.86) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518517 0.85 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL517976 0.85 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15164573 0.85 PRKAB2 (0.83) 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
EP-2598483-B1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS INC (US) 2020-07-29 — — EP disclosed
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