SCHEMBL7439031

SCHEMBL7439031

CCc1cc(N(C)c2ccc(-n3cccc3-c3nnn[nH]3)cc2)n2ncc(C#N)c2n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CSNK2A1 P68400 4/20 0.33
GSK3B P49841 1/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL7435621 0.89
SCHEMBL7442971 0.88 GSK3B (0.35) GSK3B
SCHEMBL7438659 0.84
SCHEMBL7427170 0.83 CSNK2A1 (0.35) KDM4EALDH1A1GLAHPGDMAPK1
SCHEMBL7439041 0.82 CDK2 (0.43) KDM4EALDH1A1GLAHPGDMAPK1
SCHEMBL7440126 0.82 DPP4 (0.37)
SCHEMBL7435241 0.79
SCHEMBL7437905 0.78
SCHEMBL7440095 0.77 TSHR (0.30)
SCHEMBL7440941 0.75 CSNK2A1 (0.30) CSNK2A1

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