SCHEMBL7442147

SCHEMBL7442147

CCc1cc(CNc2ccc(-c3ccccc3C(=O)O)cc2)n2nccc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PPARG P37231 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38

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
SCHEMBL7448477 0.88 FNTA (0.42) FNTAFNTBPPARGKDM4CLTB4R2
SCHEMBL7437229 0.84 PRKAB2 (0.44) PPARGPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7445094 0.84 BDKRB1 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7447232 0.84 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7431509 0.84 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7436835 0.77 KCNN3 (0.39) PPARGKDM4CPRKAB2PRKAG1PRKAA2
SCHEMBL7437209 0.77 PRKAB2 (0.41) PPARGPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7435550 0.74 BCL6 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7443167 0.73 KDM4E (0.50)
SCHEMBL7439826 0.72 F10 (0.35)

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