SCHEMBL7447202

SCHEMBL7447202

CCc1cnc2ccnn2c1O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.37
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
KDR P35968 5/20 0.33
MKNK1 Q9BUB5 1/20 0.33
AURKA O14965 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KLK7 P49862 1/20 0.31
FYN P06241 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL7433886 0.79 DGAT1 (0.39) DGAT1KDRMKNK1KLK7
SCHEMBL3620953 0.74 KDM4E (0.49)
SCHEMBL2052036 0.72 NPSR1 (0.35)
SCHEMBL1759084 0.72 KDM4E (0.38) DGAT1
SCHEMBL235971 0.69 DGAT1 (0.53) DGAT1KDRMKNK1FYN
SCHEMBL14013824 0.68 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9911039 0.67 DGAT1 (0.34) DGAT1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL266452 0.64 DGAT1 (0.41) DGAT1KDRMKNK1KLK7DYRK1A
SCHEMBL21816406 0.64 KDM4E (0.51) GABRA1GABRB2
SCHEMBL4572217 0.64 MKNK1 (0.49) DGAT1MKNK1KLK7DYRK1A

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