SCHEMBL7447153

SCHEMBL7447153

CCc1cc(N(C)Cc2ccc3oc(-c4ccccc4-c4nnn[nH]4)c(Br)c3c2)n2nccc2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.37
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL7445226 0.89 DPP4 (0.35) AGTR1
SCHEMBL7432925 0.88 AGTR1 (0.38) AGTR1
SCHEMBL7438227 0.86 AGTR1 (0.36) AGTR1
SCHEMBL7441499 0.86 AGTR1 (0.35) AGTR1
SCHEMBL7445211 0.85 AGTR1 (0.52) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7433047 0.85 AGTR1 (0.33) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7438197 0.84 PRKAB2 (0.36) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7445060 0.84 AXL (0.36) AGTR1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7433727 0.83 DPP4 (0.34) AGTR1
SCHEMBL7438353 0.81 AGTR1 (0.37) AGTR1

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