SCHEMBL7446599

SCHEMBL7446599

CCc1cc(Nc2ccc(C(C#N)c3ccccc3)cc2)n2nccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 7/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
ALDH1A1 P00352 2/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ABCB1 P08183 1/20 0.39
KCNN1 Q92952 1/20 0.38
KCNN2 Q9H2S1 1/20 0.38
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
AGTR1 P30556 1/20 0.36
KDM1A O60341 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
CDK9 P50750 4/20 0.36

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
SCHEMBL7446686 0.79 KCNN3 (0.40) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7445484 0.78 PRKAB2 (0.42) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9413422 0.78 KCNN3 (0.45) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7432279 0.78 KCNN3 (0.45) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7436866 0.78 PRKAB2 (0.42) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7448241 0.77 PRKAB2 (0.51) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7440552 0.75 KCNN3 (0.38) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7437229 0.73 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7436721 0.73 KCNN3 (0.47) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7437937 0.71 PTPN1 (0.44) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1

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