SCHEMBL7440643

SCHEMBL7440643

CCc1cc(N(CC(=O)O)Cc2ccc(-n3cccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
AGTR1 P30556 2/20 0.31
AGTR2 P50052 1/20 0.30

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
SCHEMBL7437603 0.93 PRKAB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7439551 0.92 PRKAB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7438228 0.91 PRKAB2 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7432676 0.91
SCHEMBL7438283 0.87 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7436745 0.84 AGTR1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7440126 0.81 DPP4 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7440140 0.78 PRKAB2 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7438553 0.77 BRD4 (0.36)
SCHEMBL7433092 0.77 AGTR1 (0.34) 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-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602137-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