SCHEMBL7436199

SCHEMBL7436199

CCc1cc(NCc2ccc3oc(-c4ccccc4-c4nnn[nH]4)c(Br)c3c2)n2ncc(Cl)c2n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.41
AGTR1 P30556 4/20 0.40
CDK2 P24941 4/20 0.38
AGTR2 P50052 2/20 0.34

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
SCHEMBL7439807 0.93 GSK3B (0.49) GSK3BAGTR1CDK2
SCHEMBL7438615 0.92 AGTR1 (0.42) GSK3BAGTR1CDK2AGTR2
SCHEMBL7436086 0.92 GSK3B (0.41) GSK3BAGTR1AGTR2
SCHEMBL7434200 0.92 KMT2A (0.40) GSK3BAGTR1CDK2
SCHEMBL7440954 0.89 GSK3B (0.39) GSK3BAGTR1CDK2AGTR2
SCHEMBL7440327 0.88 AGTR1 (0.39) GSK3BAGTR1AGTR2
SCHEMBL7445211 0.88 AGTR1 (0.52) GSK3BAGTR1AGTR2
SCHEMBL7445281 0.84 CDK2 (0.46) GSK3BAGTR1CDK2AGTR2
SCHEMBL7440053 0.83 AGTR1 (0.39) GSK3BAGTR1AGTR2
SCHEMBL7442152 0.83 AGTR1 (0.37) AGTR1AGTR2

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