SCHEMBL7446969

SCHEMBL7446969

CCc1cc(NCc2ccc(Oc3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.51
KCNN3 Q9UGI6 12/20 0.45
KCNN1 Q92952 2/20 0.45
KCNN2 Q9H2S1 2/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
GSK3B P49841 1/20 0.35
AGTR2 P50052 1/20 0.35
PDE10A Q9Y233 2/20 0.35

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
SCHEMBL7436916 0.90 KCNN3 (0.44) AGTR1KCNN3KCNN1KCNN2PDE10A
SCHEMBL7440984 0.88 AGTR1 (0.51) AGTR1KCNN3KCNN1KCNN2PRKAB2
SCHEMBL7436579 0.83 AGTR1 (0.49) AGTR1KCNN3KCNN1KCNN2PRKAB2
SCHEMBL7442072 0.83 AGTR1 (0.47) AGTR1KCNN3KCNN1KCNN2PRKAB2
SCHEMBL7440876 0.82 AGTR1 (0.51) AGTR1KCNN3KCNN1KCNN2PRKAB2
SCHEMBL7442449 0.81 PRKAB2 (0.47) AGTR1KCNN3KCNN1KCNN2PRKAB2
SCHEMBL7437766 0.81 AGTR1 (0.47) AGTR1KCNN3KCNN1KCNN2PRKAB2
SCHEMBL7446939 0.81 DPP4 (0.38) AGTR1KCNN3PRKAB2PRKAG1PRKAA2
SCHEMBL7437203 0.81 KCNN3 (0.47) AGTR1KCNN3KCNN1KCNN2PRKAB2
SCHEMBL7434247 0.81 AGTR1 (0.46) AGTR1KCNN3KCNN1KCNN2PRKAB2

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