SCHEMBL7438245

SCHEMBL7438245

CCc1cc(CNc2ccc(OC(C(=O)O)c3ccccc3)cc2)n2nccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARA Q07869 4/20 0.36
PPARG P37231 3/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
AGTR1 P30556 1/20 0.35
KCNN3 Q9UGI6 2/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
KCNN1 Q92952 1/20 0.34

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
SCHEMBL7438975 0.89 KDM4E (0.39) KDM4EALDH1A1PPARAPPARGMAPT
SCHEMBL7436866 0.86 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7437209 0.83 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7436835 0.81 KCNN3 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7442147 0.77 FNTA (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7431509 0.72 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7445094 0.70 BDKRB1 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7442026 0.69 PPARG (0.39) KDM4EALDH1A1PPARAPPARGKCNN3
SCHEMBL6703502 0.67 PPARG (0.48) KDM4EALDH1A1PPARAPPARGMAPT
SCHEMBL11608751 0.66 PRKAB2 (0.49) 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 5 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
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed