SCHEMBL9709710

SCHEMBL9709710

CCCCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.51
PDE4B Q07343 4/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
PDE3B Q13370 4/20 0.51
PDE3A Q14432 4/20 0.51
ACP1 P24666 3/20 0.45
AGTR1 P30556 5/20 0.43
AGTR2 P50052 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL9709673 0.95 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709757 0.92 AGTR1 (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709925 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709947 0.86 AGTR1 (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709682 0.86 ACP1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3058746 0.85 AGTR1 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709839 0.85 ACP1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9710183 0.85 ACP1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9710180 0.85 ACP1 (0.41) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709764 0.85 ACP1 (0.40) 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 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