SCHEMBL8342425

SCHEMBL8342425

O=C(O)c1cnc2[nH]ncc2c1NC1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.70
KCNH2 Q12809 3/20 0.42
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.42
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL3428110 0.89 PDE4B (0.69) PDE4BKCNH2ATMATR
SCHEMBL4340262 0.87 PDE4B (0.54) PDE4BKCNH2ATMATRAURKA
SCHEMBL2773376 0.83 PDE4B (1.00) PDE4B
SCHEMBL13609371 0.79 PDE4B (0.57) PDE4BKCNH2ATMATRHDAC3
SCHEMBL13870222 0.79 PDE4B (0.62) PDE4BHDAC3HDAC1HDAC2HDAC6
SCHEMBL5962970 0.76 PDE4B (0.64) PDE4B
SCHEMBL17241414 0.75 KCNH2 (0.55) PDE4BKCNH2ATMATR
SCHEMBL11395584 0.75 CDK2 (0.43) PDE4BAURKA
SCHEMBL30906008 0.74 PDE4B (0.47) PDE4BKCNH2ATMHDAC3HDAC1
SCHEMBL27092996 0.74 PDE4B (0.47) PDE4BKCNH2ATMHDAC3HDAC1

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