SCHEMBL7447232

SCHEMBL7447232

CCc1cc(CNc2ccc(-c3ccccc3P(=O)(O)O)cc2)n2nccc2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
AGTR1 P30556 4/20 0.36
KCNN3 Q9UGI6 6/20 0.33
KCNN1 Q92952 1/20 0.33
KCNN2 Q9H2S1 1/20 0.33
AGTR2 P50052 3/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
ACKR3 P25106 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KDR P35968 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL7438686 0.85 PRKAB2 (0.43) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7442147 0.84 FNTA (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7431509 0.83 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7445094 0.76 BDKRB1 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7443760 0.73 MEN1 (0.45) KDR
SCHEMBL7437209 0.73 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7436835 0.73 KCNN3 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7439826 0.71 F10 (0.35) KCNN3KDR
SCHEMBL7000622 0.71 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7437229 0.68 PRKAB2 (0.44) 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