SCHEMBL13256096

SCHEMBL13256096

C=C(c1ccc(C(=O)NC2CCN(Cc3ccc(C#N)cc3)CC2)nc1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKAA2 P54646 20/20 0.71
▸ PRKAB2 O43741 15/20 0.70
▸ PRKAG1 P54619 15/20 0.70
▸ PRKAA1 Q13131 15/20 0.70
▸ PRKAG3 Q9UGI9 15/20 0.70
▸ PRKAG2 Q9UGJ0 15/20 0.70
▸ PRKAB1 Q9Y478 15/20 0.70
▸ CYP3A4 P08684 1/20 0.60

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
SCHEMBL12266508 0.94 PRKAA2 (0.62) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518117 0.92 PRKAA2 (0.85) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518119 0.89 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284074 0.87 PRKAA2 (0.86) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518741 0.87 PRKAA2 (0.79) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12266507 0.86 PRKAA2 (0.73) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL16615398 0.85 PRKAA2 (0.74) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL10284154 0.85 PRKAA2 (0.80) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL22268938 0.85 PRKAA2 (0.89) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518922 0.84 PRKAA2 (0.98) 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-2010088392-A1 CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2010-08-05 — — WO disclosed
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