SCHEMBL2552804

SCHEMBL2552804

N#Cc1ccc(CN2CCC(NC(=O)c3ccc(OC4CCN(c5ccccc5C#N)CC4)c(F)c3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 11/20 0.63
PRKAB2 O43741 6/20 0.63
PRKAG1 P54619 6/20 0.63
PRKAA1 Q13131 6/20 0.63
PRKAG3 Q9UGI9 6/20 0.63
PRKAG2 Q9UGJ0 6/20 0.63
PRKAB1 Q9Y478 6/20 0.63
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.51
MCHR1 Q99705 2/20 0.49
UTS2R Q9UKP6 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR6 P46095 1/20 0.48

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
SCHEMBL2391731 0.91 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2391773 0.90 PRKAA2 (0.67) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2386404 0.88 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2391795 0.87 PRKAA2 (0.63) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2393716 0.85 PRKAA2 (0.61) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2387758 0.85 PRKAA2 (0.63) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2390761 0.82 UTS2R (0.65) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL2389917 0.82 MCHR1 (0.70) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL12227453 0.81 POLB (0.61) POLBCYP3A4MCHR1UTS2RMEN1
SCHEMBL2387674 0.81 POLB (0.64) POLBMCHR1UTS2RMEN1KMT2A

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