SCHEMBL7445281

SCHEMBL7445281

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2ncc(Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.46
AGTR1 P30556 8/20 0.45
AGTR2 P50052 7/20 0.45
GSK3B P49841 2/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCNE1 P24864 1/20 0.37
KCNN1 Q92952 1/20 0.37
KCNN2 Q9H2S1 1/20 0.37
KCNN3 Q9UGI6 1/20 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
SCHEMBL7442480 0.90 CDK2 (0.47) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7445780 0.90 KMT2A (0.45) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7442658 0.90 GSK3B (0.56) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7439349 0.90 KMT2A (0.55) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7433811 0.88 GSK3B (0.42) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7435005 0.87 AGTR1 (0.44) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7427188 0.87 CDK2 (0.49) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7440096 0.87 AGTR1 (0.44) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7442537 0.87 CDK2 (0.47) CDK2AGTR1AGTR2GSK3BKMT2A
SCHEMBL7447262 0.86 GSK3B (0.40) CDK2AGTR1AGTR2GSK3BKMT2A

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