SCHEMBL4059965

SCHEMBL4059965

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.49
DYRK3 O43781 1/20 0.49
CDK2 P24941 1/20 0.49
GSK3B P49841 1/20 0.49
CDK7 P50613 1/20 0.49
CDK5 Q00535 1/20 0.49
CAMK2G Q13555 1/20 0.49
MARK2 Q7KZI7 1/20 0.49
PIM3 Q86V86 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
PRKD2 Q9BZL6 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
SGK2 Q9HBY8 1/20 0.49
STK17A Q9UEE5 1/20 0.49
CAMK2A Q9UQM7 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
EGLN1 Q9GZT9 8/20 0.49
SLC6A4 P31645 1/20 0.39
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37

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
Hydrochloric Acid SCHEMBL4060348 0.99 CDK1 (0.49) CDK1DYRK3CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL3190961 0.91 EGLN1 (0.48) CDK1DYRK3CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL27601574 0.90 DYRK3 (0.47) CDK1DYRK3CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL28760095 0.89 CDK1 (0.47) CDK1DYRK3CDK2GSK3BCDK7
SCHEMBL941764 0.84 CDK1 (0.48) CDK1DYRK3CDK2GSK3BCDK7
SCHEMBL2130483 0.81 CDK5 (0.55) CDK1DYRK3CDK2GSK3BCDK7
SCHEMBL2128792 0.79 DYRK3 (0.52) CDK1DYRK3CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL3192660 0.79 EGLN1 (0.48) CDK1DYRK3CDK2GSK3BCDK7
SCHEMBL4061600 0.78 CDK2 (0.47) CDK1DYRK3CDK2GSK3BCDK7
SCHEMBL4059910 0.77 CDK1 (0.48) CDK1DYRK3CDK2GSK3BCDK7

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