SCHEMBL9709637

SCHEMBL9709637

Cc1nc2ccccc2c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
PDE3B Q13370 4/20 0.44
PDE3A Q14432 4/20 0.44
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
AGTR1 P30556 5/20 0.39
AGTR2 P50052 5/20 0.39
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
APP P05067 2/20 0.38
USP1 O94782 2/20 0.37
WDR48 Q8TAF3 2/20 0.37

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
SCHEMBL9709705 0.86 AGTR1 (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9385588 0.82 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL9702612 0.82 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL3058746 0.82 AGTR1 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
Hydrochloric Acid SCHEMBL9181108 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9390110 0.78 APP (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709757 0.78 AGTR1 (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709673 0.77 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9385572 0.76 CCNE2 (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9709845 0.76 ACP1 (0.42) 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