SCHEMBL7443200

SCHEMBL7443200

CCc1cc(N(CC(=O)OCOC(=O)C(C)(C)C)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.32
AGTR2 P50052 7/20 0.32
CMKLR1 Q99788 1/20 0.31
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 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
SCHEMBL7432327 0.92 AGTR1 (0.36) AGTR1AGTR2CMKLR1PRKAB2PRKAG1
SCHEMBL7438184 0.89 CMKLR1 (0.37) AGTR1AGTR2CMKLR1PRKAB2PRKAG1
SCHEMBL7436745 0.87 AGTR1 (0.36) AGTR1AGTR2PRKAB2PRKAG1PRKAA2
SCHEMBL7433092 0.86 AGTR1 (0.34) AGTR1AGTR2PRKAB2PRKAG1PRKAA2
SCHEMBL7436500 0.86 AGTR1 (0.34) AGTR1AGTR2PRKAB2PRKAG1PRKAA2
SCHEMBL7438420 0.86 CMKLR1 (0.38) AGTR1AGTR2CMKLR1PRKAB2PRKAG1
SCHEMBL7440067 0.84 AGTR1 (0.37) AGTR1AGTR2CMKLR1
SCHEMBL7434203 0.84 AGTR1 (0.36) AGTR1AGTR2CMKLR1PRKAB2PRKAG1
SCHEMBL7443465 0.82 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7444462 0.82 AGTR1 (0.34) AGTR1AGTR2CMKLR1PRKAB2PRKAG1

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