SCHEMBL9709947

SCHEMBL9709947

CCCCCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ncccc2n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.40
AGTR2 P50052 11/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
BDKRB1 P46663 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
SCHEMBL9709925 0.97 PDE4A (0.42) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709803 0.94 AGTR1 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709589 0.91 AGTR1 (0.49) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709710 0.86 PDE4A (0.51) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709842 0.85 AGTR1 (0.38) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709866 0.85 AGTR1 (0.47) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709808 0.85 AGTR1 (0.38) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709863 0.85 AGTR1 (0.38) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709813 0.85 AGTR1 (0.38) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709738 0.85 AGTR1 (0.37) 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