SCHEMBL10189097

SCHEMBL10189097

COc1ccc(-c2cc3nc(Oc4ccc(C)c(C(=O)ON)c4)[nH]c3cc2Cl)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 14/20 0.56
PRKAB1 Q9Y478 14/20 0.56
PRKAA2 P54646 10/20 0.56
PRKAA1 Q13131 9/20 0.56
PRKAB2 O43741 3/20 0.56
PRKAG3 Q9UGI9 3/20 0.56
PRKAG2 Q9UGJ0 3/20 0.56
TFDP2 Q14188 1/20 0.56
AMY1A P0DUB6 4/20 0.44
GRM2 Q14416 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3163783 0.90 PRKAG1 (0.68) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481236 0.90 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481233 0.90 PRKAG1 (0.67) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Trifluoroacetic Acid SCHEMBL3481217 0.86 PRKAG1 (0.63) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437535 0.83 PRKAG1 (0.63) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437480 0.82 PRKAG1 (0.69) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL10112842 0.82 PRKAG1 (0.58) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13385186 0.81 PRKAG1 (0.83) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437441 0.80 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL6996298 0.79 PRKAG1 (0.76) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

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-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed