SCHEMBL7446459

SCHEMBL7446459

CCc1cc(N(C)c2ccc3oc(-c4ccccc4-c4nnn[nH]4)c(Br)c3c2)n2c(C(=O)O)cnc2n1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.35

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
SCHEMBL7426716 0.91 AGTR1 (0.34) AGTR1
SCHEMBL7443612 0.89 AGTR1 (0.31) AGTR1
SCHEMBL7433825 0.88 AGTR1 (0.33) AGTR1
SCHEMBL7432185 0.88 AGTR1 (0.35) AGTR1
SCHEMBL7443410 0.85 AGTR1 (0.36) AGTR1
SCHEMBL7444851 0.84 AGTR1 (0.31) AGTR1
SCHEMBL7446450 0.83 AGTR1 (0.40) AGTR1
SCHEMBL7439909 0.83 MAP2K1 (0.34) AGTR1
SCHEMBL7438628 0.83 AGTR1 (0.32) AGTR1
SCHEMBL7439812 0.82 GSK3B (0.32) AGTR1

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