SCHEMBL9024563

SCHEMBL9024563

CCc1nc(C(F)(F)F)nc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1C(C)C.[Na]

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 10/20 0.40
AGTR1 P30556 8/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
USP1 O94782 2/20 0.36
WDR48 Q8TAF3 2/20 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
SCHEMBL9024821 0.99 AGTR2 (0.41) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024560 0.98 AGTR2 (0.40) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9025352 0.90 AGTR2 (0.39) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024446 0.89 AGTR2 (0.40) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9025342 0.88 AGTR2 (0.39) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024012 0.86 AGTR2 (0.41) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024792 0.85 AGTR2 (0.41) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024009 0.84 AGTR2 (0.41) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9024586 0.80 AGTR2 (0.39) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL9367987 0.80 CCNE2 (0.37) AGTR2USP1WDR48

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 1 patent. 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