SCHEMBL8284875

SCHEMBL8284875

CCn1ncc2c(N[C@H]3CC[C@@H](C(N)=O)CC3)c(C(O)=C3CC3)cnc21

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.62
ADORA1 P30542 3/20 0.47
ADORA2A P29274 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL4934815 0.90 PDE4B (0.67) PDE4BADORA1ADORA2A
SCHEMBL4934833 0.90 PDE4B (0.67) PDE4BADORA1ADORA2A
SCHEMBL4935532 0.90 PDE4B (0.67) PDE4BADORA1ADORA2A
SCHEMBL8279447 0.86 PDE4B (0.65) PDE4BADORA1PDE4D
SCHEMBL4937624 0.85 PDE4B (0.80) PDE4BADORA1
SCHEMBL4937633 0.85 PDE4B (0.80) PDE4BADORA1
SCHEMBL4938459 0.85 PDE4B (0.80) PDE4BADORA1
SCHEMBL583313 0.82 PDE4B (0.70) PDE4BADORA1ADORA2A
SCHEMBL4928834 0.82 PDE4B (0.78) PDE4BPDE4D
SCHEMBL4931660 0.81 PDE4B (0.63) PDE4BADORA1ADORA2A

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-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed