SCHEMBL9023801

SCHEMBL9023801

Cc1nc(C(F)(F)F)nc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1Cc1ccccc1.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.40
USP1 O94782 4/20 0.37
WDR48 Q8TAF3 4/20 0.37
AGTR1 P30556 4/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL9024512 0.99 AGTR2 (0.41) AGTR2USP1WDR48AGTR1PDE4A
SCHEMBL9023807 0.98 AGTR2 (0.40) AGTR2USP1WDR48AGTR1PDE4A
SCHEMBL9024574 0.90 AGTR2 (0.39) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024410 0.89 PDE4A (0.42) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024358 0.89 AGTR2 (0.40) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024586 0.88 AGTR2 (0.39) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024268 0.88 PDE4A (0.43) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024426 0.87 PDE4A (0.42) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024049 0.87 AGTR2 (0.38) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9025342 0.85 AGTR2 (0.39) AGTR2USP1WDR48AGTR1PDE4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP disclosed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US disclosed