SCHEMBL7442985

SCHEMBL7442985

CCc1cc(NCc2ccc(-n3cccc3-c3nnn[nH]3)cc2)n2ncc(Br)c2n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.54
CDK2 P24941 9/20 0.43
CCNE1 P24864 3/20 0.37

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
SCHEMBL7435614 0.91 GSK3B (0.42) GSK3BCDK2CCNE1
SCHEMBL7439041 0.88 CDK2 (0.43) GSK3BCDK2
SCHEMBL7438645 0.87 GSK3B (0.39) GSK3BCDK2CCNE1
SCHEMBL7440140 0.85 PRKAB2 (0.48) GSK3BCDK2CCNE1
SCHEMBL7442658 0.82 GSK3B (0.56) GSK3BCDK2CCNE1
SCHEMBL7442971 0.81 GSK3B (0.35) GSK3B
SCHEMBL7435233 0.81 GSK3B (0.31) GSK3B
SCHEMBL7437917 0.80 AGTR1 (0.32) GSK3B
SCHEMBL7440104 0.80 KMT2A (0.43) GSK3BCDK2
SCHEMBL7440210 0.76 AGTR1 (0.32)

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