SCHEMBL8089308

SCHEMBL8089308

CCCCc1nc2c(=O)n(Cc3ccc(C#N)cc3)ccc2n1Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.44
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
AGTR1 P30556 5/20 0.41
AGTR2 P50052 5/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL8700621 0.85 PPARG (0.59) AGTR1AGTR2
SCHEMBL8092918 0.83 AGTR1 (0.62) TLR7AGTR1AGTR2
SCHEMBL8081222 0.83 AGTR1 (0.56) PDE4APDE4BPDE4CPDE4DAGTR1
SCHEMBL8088546 0.80 AGTR1 (0.52) TLR7AGTR1AGTR2
SCHEMBL9756342 0.77 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8092763 0.77 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8089287 0.77 AGTR1 (0.69) AGTR1AGTR2
SCHEMBL9122396 0.75 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9124517 0.75 TLR7 (0.47) TLR7AGTR1AGTR2
SCHEMBL8129171 0.75 AGTR1 (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed
US-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed
EP-0505893-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1992-09-30 EP disclosed