SCHEMBL6455597

SCHEMBL6455597

CCc1nn(CC)cc1NC1CCN(C(C)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
BRD4 O60885 1/20 0.39
JAK1 P23458 3/20 0.39
JAK2 O60674 3/20 0.39
JAK3 P52333 3/20 0.39
TYK2 P29597 2/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
NOS2 P35228 4/20 0.39
NSD2 O96028 1/20 0.38
NOS1 P29475 3/20 0.37
NOS3 P29474 1/20 0.37
PDE4B Q07343 1/20 0.37
EPHX2 P34913 2/20 0.37
EPHX1 P07099 1/20 0.37
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PRMT5 O14744 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 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
SCHEMBL4554789 0.84 ALDH1A1 (0.49) MAPTBRD4JAK1NOS2NSD2
SCHEMBL4762000 0.84 ALDH1A1 (0.35) KDRPDE4BCDK4ALDH1A1LMNA
SCHEMBL4552449 0.81 RAB9A (0.40) PDE4BCDK4CCND1ALDH1A1LMNA
SCHEMBL5185734 0.80 PDE7A (0.39) PDE4BCDK1ALDH1A1LMNA
SCHEMBL5176743 0.78 PDE4B (0.39) BRD4JAK1JAK2JAK3TYK2
SCHEMBL27628661 0.74 MAPT (0.53) MAPTJAK1JAK2JAK3TYK2
SCHEMBL4951407 0.73 MAPT (0.44) MAPTBRD4JAK1JAK2JAK3
SCHEMBL6469770 0.70 KAT2B (0.36) BRD4JAK1JAK2JAK3TYK2
SCHEMBL19171256 0.68 PRMT5 (0.49) MAPTNOS2NOS1NOS3PRMT5
SCHEMBL30000420 0.68 MAPT (0.44) MAPTJAK1JAK2JAK3TYK2

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