SCHEMBL4059910

SCHEMBL4059910

CN(C)CCNS(=O)(=O)c1ccc(-c2c(O)[nH]c3ccc(C#N)cc23)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.48
CDK2 P24941 2/20 0.48
PIM3 Q86V86 2/20 0.48
DYRK3 O43781 1/20 0.48
GSK3B P49841 1/20 0.48
CDK7 P50613 1/20 0.48
CDK5 Q00535 1/20 0.48
CAMK2G Q13555 1/20 0.48
MARK2 Q7KZI7 1/20 0.48
MINK1 Q8N4C8 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
SGK2 Q9HBY8 1/20 0.48
STK17A Q9UEE5 1/20 0.48
CAMK2A Q9UQM7 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
EGLN2 Q96KS0 1/20 0.44
BRAF P15056 4/20 0.43
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
Fumaric Acid SCHEMBL4058486 0.94 CDK1 (0.44) CDK1CDK2PIM3DYRK3GSK3B
Fumaric Acid SCHEMBL4058491 0.94 CDK1 (0.44) CDK1CDK2PIM3DYRK3GSK3B
SCHEMBL4061600 0.84 CDK2 (0.47) CDK1CDK2PIM3DYRK3GSK3B
SCHEMBL4068395 0.83 DYRK3 (0.54) CDK1CDK2PIM3DYRK3GSK3B
Hydrochloric Acid SCHEMBL4070862 0.82 DYRK3 (0.54) CDK1CDK2PIM3DYRK3GSK3B
Fumaric Acid SCHEMBL4058408 0.79 CDK2 (0.42) CDK1CDK2PIM3DYRK3GSK3B
Fumaric Acid SCHEMBL4058398 0.79 CDK2 (0.42) CDK1CDK2PIM3DYRK3GSK3B
SCHEMBL4059965 0.77 CDK1 (0.49) CDK1CDK2PIM3DYRK3GSK3B
SCHEMBL4066958 0.77 CDK1 (0.52) CDK1CDK2PIM3DYRK3GSK3B
Hydrochloric Acid SCHEMBL4063997 0.77 CDK1 (0.51) CDK1CDK2PIM3DYRK3GSK3B

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-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed
EP-1492785-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2005-01-05 EP claimed
WO-2003082853-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2003-10-09 WO claimed