SCHEMBL7539889

SCHEMBL7539889

COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1O

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.82
PDE4B Q07343 20/20 0.82
PDE4C Q08493 20/20 0.82
PDE4D Q08499 20/20 0.82
PDE3B Q13370 3/20 0.59
PDE3A Q14432 3/20 0.59

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
SCHEMBL7539899 1.00 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7539894 1.00 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7136848 0.90 PDE4B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7136851 0.90 PDE4B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7136855 0.90 PDE4B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5564874 0.87 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5564875 0.87 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL5564872 0.87 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7147540 0.85 PDE4A (0.90) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7147538 0.85 PDE4A (0.90) 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-1999031071-A1 NEW PHTHALAZINONES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-06-24 WO disclosed