SCHEMBL6206049

SCHEMBL6206049

CCOc1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.81
GSK3B P49841 14/20 0.81
CDK4 P11802 14/20 0.81
DYRK1A Q13627 4/20 0.81
SLC2A1 P11166 2/20 0.64

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
Pyrazolopyridazine 1 SCHEMBL4489357 0.90 CDK2 (1.00) CDK2GSK3BCDK4DYRK1ASLC2A1
SCHEMBL6204047 0.89 CDK2 (0.72) CDK2GSK3BCDK4DYRK1A
Gw801372X SCHEMBL4472952 0.83 CDK2 (1.00) CDK2GSK3BCDK4DYRK1A
SCHEMBL4484286 0.81 CDK2 (1.00) CDK2GSK3BCDK4DYRK1A
SCHEMBL4488333 0.81 CDK2 (1.00) CDK2GSK3BCDK4DYRK1A
SCHEMBL13713471 0.81 DYRK1A (0.75) CDK2GSK3BCDK4DYRK1ASLC2A1
SCHEMBL4478725 0.80 CDK2 (0.82) CDK2GSK3BCDK4DYRK1A
Gw778894X SCHEMBL4464130 0.80 CDK2 (1.00) CDK2GSK3BCDK4DYRK1ASLC2A1
SCHEMBL4479694 0.80 CDK2 (0.77) CDK2GSK3BCDK4DYRK1ASLC2A1
Gw778894X SCHEMBL29636882 0.80 CDK2 (1.00) CDK2GSK3BCDK4DYRK1ASLC2A1

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-1551842-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004035588-A1 PYRADAZINE COMPOUNDS AS GSK-3 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-29 WO disclosed