SCHEMBL7433668

SCHEMBL7433668

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n2c(CO)cnc2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.40
AGTR2 P50052 14/20 0.40
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 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
SCHEMBL7444891 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7427127 0.87 AGTR1 (0.42) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL7442549 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL7429897 0.87 AGTR1 (0.39) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL7440866 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL7438511 0.85 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7443625 0.84 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL7446034 0.83 GAA (0.48) AGTR1AGTR2
SCHEMBL7442791 0.83 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL7442307 0.82 AGTR1 (0.44) AGTR1AGTR2PDE4APDE4BPDE4C

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