SCHEMBL9709705

SCHEMBL9709705

Cc1nc2cccnc2c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.37
AGTR2 P50052 7/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
USP1 O94782 2/20 0.34
WDR48 Q8TAF3 2/20 0.34

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
SCHEMBL9709637 0.86 PDE4A (0.44) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709866 0.83 AGTR1 (0.47) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709589 0.80 AGTR1 (0.49) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709803 0.78 AGTR1 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709617 0.78 AGTR1 (0.36) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709611 0.78 AGTR1 (0.36) AGTR1AGTR2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL9702612 0.77 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9709905 0.77 USP1 (0.40) AGTR1AGTR2USP1WDR48
SCHEMBL9709925 0.77 PDE4A (0.42) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709842 0.76 AGTR1 (0.38) AGTR1AGTR2PDE4APDE4BPDE4C

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