SCHEMBL4236113

SCHEMBL4236113

[O-][n+]1cc(CN2CCOCC2)ccc1-c1c(O)[nH]c2ccc(-c3ccsc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.43
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
CDK5 Q00535 1/20 0.43
CAMK2G Q13555 1/20 0.43
MARK2 Q7KZI7 1/20 0.43
PIM3 Q86V86 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
PRKD2 Q9BZL6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
SGK2 Q9HBY8 1/20 0.43
STK17A Q9UEE5 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
JAK2 O60674 1/20 0.40
CHEK1 O14757 3/20 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
SCHEMBL4064035 0.85 DYRK3 (0.43) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4059150 0.83 DYRK1A (0.48) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4063370 0.83 CDK2 (0.43) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL477944 0.73 CDK2 (0.42) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4062113 0.67 CDK7 (0.65) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL4057934 0.66 CDK7 (0.64) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4059941 0.66 GSK3B (0.66) DYRK3CDK1CDK2GSK3BCDK7
SCHEMBL4578855 0.64 HDAC1 (0.75) MAPT
SCHEMBL4066507 0.64 CDK7 (0.66) DYRK3CDK1CDK2GSK3BCDK7
Hydrochloric Acid SCHEMBL4057681 0.63 CDK7 (0.65) DYRK3CDK1CDK2GSK3BCDK7

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