SCHEMBL7438511

SCHEMBL7438511

CCOC(=O)c1cnc2nc(CC)cc(NCc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)n12

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.44
AGTR2 P50052 13/20 0.44
IDO1 P14902 1/20 0.41

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
SCHEMBL7440866 0.94 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7444891 0.91 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7442549 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7433668 0.85 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7427127 0.84 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL7438654 0.83 CCNA2 (0.47) AGTR1AGTR2
SCHEMBL7440524 0.83 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7438523 0.82 IDO1 (0.38) AGTR1AGTR2IDO1
SCHEMBL7429897 0.82 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL7442791 0.80 AGTR1 (0.41) 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