SCHEMBL5158265

SCHEMBL5158265

CCN(C(=O)c1cnc2[nH]ncc2c1NC1CCOCC1)C(C)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.58
KCNH2 Q12809 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL5473640 0.79 PDE4B (0.44) PDE4BJAK2JAK1TYK2JAK3
SCHEMBL5154835 0.77 PDE4B (0.56) PDE4B
SCHEMBL5962970 0.75 PDE4B (0.64) PDE4B
SCHEMBL8342425 0.74 PDE4B (0.70) PDE4BKCNH2
SCHEMBL2773376 0.74 PDE4B (1.00) PDE4BJAK1JAK3
SCHEMBL3428110 0.73 PDE4B (0.69) PDE4BKCNH2JAK2JAK1TYK2
SCHEMBL5962805 0.72 PDE4B (0.54) PDE4BKCNH2JAK2JAK1TYK2
SCHEMBL4345860 0.70 PDE4B (0.68) PDE4B
SCHEMBL4336764 0.70 PDE4B (0.54) PDE4BKCNH2
SCHEMBL5962845 0.68 PDE4B (0.54) PDE4BJAK2JAK1TYK2JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed