SCHEMBL7439284

SCHEMBL7439284

Cc1cc(N(CC(=O)O)Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2nccc2n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.37
AGTR2 P50052 17/20 0.37
MAPK8 P45983 1/20 0.37
TP53 P04637 1/20 0.34
POLB P06746 1/20 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
SCHEMBL7442522 0.93 AGTR1 (0.37) AGTR1AGTR2MAPK8TP53POLB
SCHEMBL7442873 0.91 CMKLR1 (0.38) AGTR1AGTR2MAPK8
SCHEMBL7440067 0.91 AGTR1 (0.37) AGTR1AGTR2MAPK8
SCHEMBL7436745 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7448563 0.87 AGTR1 (0.44) AGTR1AGTR2MAPK8
SCHEMBL7437565 0.85 MAPT (0.38) AGTR1AGTR2MAPK8TP53
SCHEMBL7443135 0.85 AGTR1 (0.37) AGTR1
SCHEMBL7435724 0.85 AGTR1 (0.36) AGTR1AGTR2MAPK8
SCHEMBL7432676 0.83
SCHEMBL7433092 0.83 AGTR1 (0.34) 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