SCHEMBL30596269

SCHEMBL30596269

CCOc1nc(-c2ccccc2)cc2c1cnn2C1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.67
PDE1B Q01064 9/20 0.44
PDE1C Q14123 8/20 0.44
PDE1A P54750 6/20 0.44
MAPK1 P28482 2/20 0.42
PDE9A O76083 6/20 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
SCHEMBL30596262 0.83 PDE4D (0.62) PDE4DPDE1BPDE1CPDE1AMAPK1
SCHEMBL30596250 0.81 PDE4D (1.00) PDE4DPDE1BPDE1CPDE1APDE9A
SCHEMBL30596256 0.78 PDE4D (1.00) PDE4DPDE1BPDE1CPDE1APDE9A
SCHEMBL30596248 0.77 PDE4D (0.69) PDE4DPDE1BPDE1CPDE1AMAPK1
SCHEMBL30596273 0.73 PDE4D (0.85) PDE4DPDE1BPDE1CPDE1AMAPK1
SCHEMBL15440751 0.67 PDE10A (0.49) PDE4DPDE1BPDE1CPDE1AMAPK1
SCHEMBL31195616 0.67 PDE10A (0.49) PDE4DPDE1BPDE1CPDE1AMAPK1
Hydrochloric Acid SCHEMBL18399330 0.66 PDE10A (0.48) PDE4DPDE1BPDE1CPDE1AMAPK1
SCHEMBL30596258 0.66 PDE4D (0.73) PDE4DPDE1BPDE1CPDE1AMAPK1
SCHEMBL19434449 0.65 PDE1C (0.84) PDE1BPDE1CPDE1APDE9A

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
CN-116836162-A Pyrazolo [4,3-c ] pyridine compound or pharmaceutically acceptable salt thereof and application thereof 南方医科大学 2023-10-03 CN disclosed