SCHEMBL4061600

SCHEMBL4061600

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.47
GSK3B P49841 2/20 0.47
DYRK3 O43781 1/20 0.47
CDK1 P06493 1/20 0.47
CDK7 P50613 1/20 0.47
CDK5 Q00535 1/20 0.47
CAMK2G Q13555 1/20 0.47
MARK2 Q7KZI7 1/20 0.47
PIM3 Q86V86 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
SGK2 Q9HBY8 1/20 0.47
STK17A Q9UEE5 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
SERPINE1 P05121 1/20 0.37
FLT3 P36888 3/20 0.36
CSF1R P07333 2/20 0.36
KIT P10721 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
Fumaric Acid SCHEMBL4058408 0.94 CDK2 (0.42) CDK2GSK3BDYRK3CDK1CDK7
Fumaric Acid SCHEMBL4058398 0.94 CDK2 (0.42) CDK2GSK3BDYRK3CDK1CDK7
SCHEMBL4059910 0.84 CDK1 (0.48) CDK2GSK3BDYRK3CDK1CDK7
SCHEMBL4066958 0.79 CDK1 (0.52) CDK2GSK3BDYRK3CDK1CDK7
Fumaric Acid SCHEMBL4058486 0.79 CDK1 (0.44) CDK2GSK3BDYRK3CDK1CDK7
Hydrochloric Acid SCHEMBL4063997 0.79 CDK1 (0.51) CDK2GSK3BDYRK3CDK1CDK7
Fumaric Acid SCHEMBL4058491 0.79 CDK1 (0.44) CDK2GSK3BDYRK3CDK1CDK7
SCHEMBL4059965 0.78 CDK1 (0.49) CDK2GSK3BDYRK3CDK1CDK7
Hydrochloric Acid SCHEMBL4060348 0.77 CDK1 (0.49) CDK2GSK3BDYRK3CDK1CDK7
SCHEMBL4060961 0.75 DYRK3 (0.55) CDK2GSK3BDYRK3CDK1CDK7

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-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