SCHEMBL6444159

SCHEMBL6444159

CCc1nn(C(C)C)cc1NC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.38
PDE4B Q07343 2/20 0.37
PDE7A Q13946 1/20 0.37
PDE1B Q01064 6/20 0.37
MAPK1 P28482 4/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
PDE1C Q14123 4/20 0.35
EML4 Q9HC35 1/20 0.33
ALK Q9UM73 1/20 0.33
BRD4 O60885 1/20 0.33
PDE1A P54750 3/20 0.32

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
SCHEMBL5176743 0.81 PDE4B (0.39) LRRK2PDE4BPDE7APDE1BMAPK1
SCHEMBL6437921 0.77 PDE4B (0.40) LRRK2PDE4BPDE7AMAPK1EML4
SCHEMBL3422561 0.71 LMNA (0.38) PDE4BPDE7ABRD4
SCHEMBL4762000 0.69 ALDH1A1 (0.35) PDE4BPDE7A
SCHEMBL22572990 0.69 LRRK2 (0.45) LRRK2PDE4BPDE1BMAPK1MAPK8
SCHEMBL22573150 0.69 MAPK1 (0.40) LRRK2PDE4BPDE7AMAPK1EML4
SCHEMBL31498503 0.68 MAPK1 (0.49) LRRK2PDE4BPDE7AMAPK1MAPK8
SCHEMBL4552449 0.67 RAB9A (0.40) LRRK2PDE4BPDE7A
SCHEMBL22573136 0.66 MAPK1 (0.46) LRRK2PDE4BPDE7AMAPK1BRD4
SCHEMBL4951461 0.66 LRRK2 (0.44) LRRK2PDE4BPDE7APDE1BMAPK1

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-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP claimed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO claimed