SCHEMBL9709905

SCHEMBL9709905

FC(F)(F)c1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ncccc2n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP1 O94782 9/20 0.40
WDR48 Q8TAF3 9/20 0.40
AGTR1 P30556 5/20 0.40
AGTR2 P50052 5/20 0.40
TOP1 P11387 2/20 0.37
KDR P35968 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
SCHEMBL9710150 0.87 TLR7 (0.47) USP1WDR48AGTR1AGTR2
SCHEMBL9709866 0.86 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9709589 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9709803 0.83 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9709842 0.83 AGTR1 (0.38) USP1WDR48AGTR1AGTR2
SCHEMBL9709611 0.82 AGTR1 (0.36) AGTR1AGTR2KDR
SCHEMBL9709738 0.82 AGTR1 (0.37) USP1WDR48AGTR1AGTR2
SCHEMBL9709617 0.82 AGTR1 (0.36) AGTR1AGTR2KDR
SCHEMBL9709925 0.82 PDE4A (0.42) AGTR1AGTR2
SCHEMBL9709813 0.81 AGTR1 (0.38) USP1WDR48AGTR1AGTR2

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