SCHEMBL7436835

SCHEMBL7436835

CCc1cc(CNc2ccc(C(Cc3ccccc3)C(=O)O)cc2)n2nccc2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 5/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KCNN1 Q92952 1/20 0.39
KCNN2 Q9H2S1 1/20 0.39
FFAR1 O14842 3/20 0.38
PPARG P37231 6/20 0.36
P4HTM Q9NXG6 1/20 0.36
AGTR1 P30556 1/20 0.35
PPARA Q07869 5/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
JAK3 P52333 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL7437209 0.96 PRKAB2 (0.41) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7442026 0.89 PPARG (0.39) KCNN3KCNN1KCNN2FFAR1PPARG
SCHEMBL7432279 0.85 KCNN3 (0.45) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9413422 0.85 KCNN3 (0.45) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7438245 0.81 PRKAB2 (0.39) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL7442147 0.77 FNTA (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7447232 0.73 PRKAB2 (0.38) KCNN3PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL9413416 0.70 P4HTM (0.40) P4HTM
SCHEMBL7438975 0.69 KDM4E (0.39) PPARGPPARA
SCHEMBL7445094 0.69 BDKRB1 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 4 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