SCHEMBL5154835

SCHEMBL5154835

CCC(c1ccc(C)cc1C)N(CC)C(=O)c1cnc2[nH]ncc2c1NC1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.56
MELK Q14680 1/20 0.36
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35

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
Hydrochloric Acid SCHEMBL5155250 0.90 PDE4B (0.44) PDE4BMELKCHEK1CHEK2
SCHEMBL5158265 0.77 PDE4B (0.58) PDE4B
SCHEMBL2773376 0.73 PDE4B (1.00) PDE4BCHEK1CHEK2
SCHEMBL5962970 0.73 PDE4B (0.64) PDE4B
SCHEMBL8342425 0.71 PDE4B (0.70) PDE4B
SCHEMBL3428110 0.70 PDE4B (0.69) PDE4B
SCHEMBL13870222 0.69 PDE4B (0.62) PDE4B
SCHEMBL4937907 0.68 PDE4B (0.64) PDE4B
SCHEMBL4934777 0.68 PDE4B (0.64) PDE4B
SCHEMBL4934822 0.68 PDE4B (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007514704-A 2007-06-07 JP claimed
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP claimed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO claimed