SCHEMBL9709568

SCHEMBL9709568

Cc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2nccc(C(C)C)c2n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.44
AGTR2 P50052 7/20 0.44
USP1 O94782 11/20 0.41
WDR48 Q8TAF3 11/20 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
SCHEMBL9710179 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709829 0.87 AGTR1 (0.47) AGTR1AGTR2USP1WDR48
SCHEMBL9710202 0.87 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9709692 0.84 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9709866 0.84 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709642 0.79 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9704665 0.78 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9709754 0.78 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709790 0.78 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL3058746 0.78 AGTR1 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO claimed
WO-1992022533-A1 4-AMINOQUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE UPJOHN COMPANY (US) 1992-12-23 WO disclosed