SCHEMBL12266508

SCHEMBL12266508

C=C(NC1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(C(=C)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 20/20 0.62
▸ PRKAB2 O43741 14/20 0.61
▸ PRKAG1 P54619 14/20 0.61
▸ PRKAA1 Q13131 14/20 0.61
▸ PRKAG3 Q9UGI9 14/20 0.61
▸ PRKAG2 Q9UGJ0 14/20 0.61
▸ PRKAB1 Q9Y478 14/20 0.61
▸ CYP3A4 P08684 1/20 0.53

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
SCHEMBL13256096 0.94 PRKAA2 (0.71) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12266507 0.91 PRKAA2 (0.73) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518117 0.86 PRKAA2 (0.85) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13256095 0.83 PRKAA2 (0.87) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518119 0.82 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284074 0.81 PRKAA2 (0.86) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518741 0.81 PRKAA2 (0.79) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284154 0.81 PRKAA2 (0.80) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL13666792 0.80 DRD4 (0.62) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL23072566 0.80 PRKAA2 (0.75) 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-2011123681-A1 METHODS FOR USING CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2011-10-06 — — WO disclosed
Send feedback