SCHEMBL13809382

SCHEMBL13809382

C/C=C(\NC1CCN(Cc2ccc(C#N)cc2)CC1)c1cnc2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 18/20 0.48
PRKAB2 O43741 6/20 0.48
PRKAG1 P54619 6/20 0.48
PRKAA1 Q13131 6/20 0.48
PRKAG3 Q9UGI9 6/20 0.48
PRKAG2 Q9UGJ0 6/20 0.48
PRKAB1 Q9Y478 6/20 0.48
CYP3A4 P08684 2/20 0.48
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL61677 0.91 PRKAA2 (0.57) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL62194 0.85 DRD4 (0.56) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL91078 0.83 PRKAA2 (0.59) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL5020461 0.83 PRKAA2 (0.59) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL61881 0.81 SLC6A5 (0.58) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL91109 0.81 DRD4 (0.52) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL3666114 0.81 PRKAA2 (0.47) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL649210 0.79 PRKAA2 (0.67) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2509533 0.79 PRKAA2 (0.50) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2503938 0.79 PRKAA2 (0.50) 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-2009076631-A1 CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2009-06-18 WO disclosed