SCHEMBL12812014

SCHEMBL12812014

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.64
JAK1 P23458 2/20 0.51
JAK3 P52333 2/20 0.51
ADORA1 P30542 1/20 0.45
PDE5A O76074 1/20 0.44

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
SCHEMBL4929537 0.89 PDE4B (0.82) PDE4BJAK1JAK3ADORA1PDE5A
SCHEMBL8222521 0.89 PDE4B (0.82) PDE4BJAK1JAK3ADORA1PDE5A
SCHEMBL8230376 0.89 PDE4B (0.82) PDE4BJAK1JAK3ADORA1PDE5A
SCHEMBL4336092 0.89 PDE4B (0.82) PDE4BJAK1JAK3ADORA1PDE5A
SCHEMBL4936057 0.89 PDE4B (0.82) PDE4BJAK1JAK3ADORA1PDE5A
SCHEMBL4336100 0.89 PDE4B (0.82) PDE4BJAK1JAK3ADORA1PDE5A
SCHEMBL8230122 0.88 PDE4B (0.66) PDE4BADORA1
SCHEMBL4934848 0.84 PDE4B (0.63) PDE4BJAK1JAK3
SCHEMBL4345680 0.84 PDE4B (0.63) PDE4BJAK1JAK3
SCHEMBL14115808 0.84 PDE4B (0.63) PDE4BJAK1JAK3

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
EP-1940835-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2011-03-30 EP disclosed