SCHEMBL8230233

SCHEMBL8230233

C=C(OCC)c1cnc2c(cnn2CC)c1N[C@H]1CCN(C(N)=O)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.61
ADORA1 P30542 1/20 0.47
PDE5A O76074 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
SCHEMBL12363616 0.91 PDE4B (0.74) PDE4BADORA1PDE5A
SCHEMBL4940780 0.91 PDE4B (0.74) PDE4BADORA1PDE5A
SCHEMBL4931414 0.91 PDE4B (0.74) PDE4BADORA1PDE5A
SCHEMBL4935529 0.87 PDE4B (0.62) PDE4BADORA1PDE5A
SCHEMBL4934425 0.87 PDE4B (0.62) PDE4BADORA1PDE5A
SCHEMBL14034599 0.87 PDE4B (0.62) PDE4BADORA1PDE5A
SCHEMBL3286186 0.86 PDE4B (0.79) PDE4BADORA1PDE5A
SCHEMBL8230238 0.85 PDE4B (0.60) PDE4BADORA1PDE5A
SCHEMBL8279380 0.85 PDE4B (0.61) PDE4B
SCHEMBL8279419 0.85 PDE4B (0.61) PDE4B

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-2008009735-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed