SCHEMBL7440327

SCHEMBL7440327

CCc1cc(NCc2ccc3oc(-c4ccccc4-c4nnn[nH]4)c(Br)c3c2)n2ncc([N+](=O)[O-])c2n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.39
GSK3B P49841 1/20 0.38
KCNN3 Q9UGI6 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL7446552 0.93 KMT2A (0.38) AGTR1GSK3B
SCHEMBL7438615 0.90 AGTR1 (0.42) AGTR1GSK3BAGTR2
SCHEMBL7439807 0.90 GSK3B (0.49) AGTR1GSK3B
SCHEMBL7436086 0.89 GSK3B (0.41) AGTR1GSK3BAGTR2
SCHEMBL7436199 0.88 GSK3B (0.41) AGTR1GSK3BAGTR2
SCHEMBL7440954 0.86 GSK3B (0.39) AGTR1GSK3BAGTR2
SCHEMBL7445211 0.85 AGTR1 (0.52) AGTR1GSK3BKCNN3AGTR2
SCHEMBL7447262 0.85 GSK3B (0.40) AGTR1GSK3BKCNN3AGTR2
SCHEMBL7440322 0.83 AGTR1 (0.30) AGTR1
SCHEMBL7433835 0.81 AGTR1 (0.39) AGTR1GSK3BAGTR2

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