SCHEMBL9709925

SCHEMBL9709925

CCCCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ncccc2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
AGTR1 P30556 10/20 0.41
AGTR2 P50052 10/20 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
SCHEMBL9709947 0.97 AGTR1 (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709803 0.95 AGTR1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709589 0.91 AGTR1 (0.49) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709710 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709842 0.86 AGTR1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709866 0.86 AGTR1 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709863 0.86 AGTR1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709808 0.86 AGTR1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709813 0.86 AGTR1 (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709738 0.85 AGTR1 (0.37) PDE4APDE4BPDE4CPDE4DPDE3B

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