SCHEMBL7436721

SCHEMBL7436721

CCc1cc(Nc2ccc([N+](=O)[O-])cc2)n2nccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.47
PRKAB2 O43741 1/20 0.47
PRKAG1 P54619 1/20 0.47
PRKAA2 P54646 1/20 0.47
PRKAA1 Q13131 1/20 0.47
PRKAG3 Q9UGI9 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PRKAB1 Q9Y478 1/20 0.47
KMT2A Q03164 5/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.41
JAK2 O60674 1/20 0.41
MITF O75030 1/20 0.41
HTT P42858 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 1/20 0.41
KDM1A O60341 1/20 0.39
MEN1 O00255 3/20 0.39

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
SCHEMBL7438686 0.73 PRKAB2 (0.43) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7443755 0.73 PRKAB2 (0.43) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9413422 0.72 KCNN3 (0.45) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7436866 0.72 PRKAB2 (0.42) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7443458 0.71 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7435550 0.71 BCL6 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31602181 0.70 KCNN3 (0.52) KCNN3KMT2APOLBRAB9AMAPT
SCHEMBL7447901 0.69 AGTR1 (0.41) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL4318891 0.68 PDE10A (0.49) KCNN3JAK2GSK3BCDK2CDK9
SCHEMBL31602182 0.67 KCNN3 (0.60) KCNN3DPP4

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