SCHEMBL5218588

SCHEMBL5218588

CN1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)NCc4cccs4)n3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.70
CCNE2 O96020 13/20 0.70
CCNE1 P24864 13/20 0.70
CDK2 P24941 13/20 0.70
GSK3A P49840 1/20 0.63
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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 SCHEMBL3280934 0.99 GSK3B (0.69) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5223900 0.92 GSK3B (0.73) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3274990 0.91 GSK3B (0.72) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL5221890 0.85 GSK3B (0.55) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5222268 0.85 GSK3B (0.82) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3273594 0.84 GSK3B (0.80) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5220911 0.83 GSK3B (0.76) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5223562 0.83 GSK3B (0.82) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5220043 0.83 GSK3B (0.78) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5224389 0.82 GSK3B (0.80) GSK3BCCNE2CCNE1CDK2GSK3A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575942-B1 COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2007-05-02 EP claimed