SCHEMBL7436866

SCHEMBL7436866

CCc1cc(Nc2ccc(OC(C(=O)O)c3ccccc3)cc2)n2nccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
KCNN3 Q9UGI6 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.37
ABCB1 P08183 1/20 0.36
BCL6 P41182 1/20 0.36
AGTR1 P30556 1/20 0.36
PTPN1 P18031 1/20 0.36
KCNN1 Q92952 1/20 0.36
KCNN2 Q9H2S1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARA Q07869 2/20 0.35

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
SCHEMBL7438245 0.86 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7432279 0.81 KCNN3 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7440552 0.79 KCNN3 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7438975 0.76 KDM4E (0.39) KDM4EALDH1A1MEN1KMT2APPARA
SCHEMBL7430925 0.74 KCNN3 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7435550 0.74 BCL6 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7443458 0.72 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7443755 0.72 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7437243 0.72 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7437209 0.68 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0628559-B1 Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF LILLY GMBH (DE) 2002-04-03 EP disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed