SCHEMBL7433754

SCHEMBL7433754

CCc1cc(N(C)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
AGTR1 P30556 4/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
AGTR2 P50052 3/20 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
SCHEMBL7437185 0.93 DPP4 (0.39) DPP4
SCHEMBL7442649 0.91 DPP4 (0.38) DPP4AGTR1AGTR2
SCHEMBL7443142 0.90 DPP4 (0.35) DPP4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7433899 0.90 DPP4 (0.35) DPP4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7442438 0.90 DPP4 (0.36) DPP4AGTR1PRKAB2PRKAG1PRKAA2
SCHEMBL7437747 0.89 DPP4 (0.36) DPP4AGTR1PRKAB2PRKAG1PRKAA2
SCHEMBL7442038 0.89 DPP4 (0.36) DPP4AGTR1PRKAB2PRKAG1PRKAA2
SCHEMBL7434227 0.89 DPP4 (0.36) DPP4AGTR1PRKAB2PRKAG1PRKAA2
SCHEMBL7436547 0.88 DPP4 (0.37) DPP4AGTR1PRKAB2PRKAG1PRKAA2
SCHEMBL7434298 0.88 PRKAB2 (0.34) DPP4AGTR1PRKAB2PRKAG1PRKAA2

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