SCHEMBL5219446

SCHEMBL5219446

Nc1ncc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1OC(=O)NCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.51
CCNE2 O96020 7/20 0.51
CCNE1 P24864 7/20 0.51
CDK2 P24941 7/20 0.51
USP2 O75604 1/20 0.44
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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 SCHEMBL5224249 0.94 GSK3B (0.49) GSK3BCCNE2CCNE1CDK2KCNH2
SCHEMBL5225728 0.91 GSK3B (0.60) GSK3BCCNE2CCNE1CDK2KCNH2
SCHEMBL3279536 0.86 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2KCNH2
SCHEMBL5221380 0.84 GSK3B (0.51) GSK3BCCNE2CCNE1CDK2USP2
Hydrochloric Acid SCHEMBL5223876 0.83 CYP1A2 (0.58) GSK3BCCNE2CCNE1CDK2SMN1; SMN2
SCHEMBL5226361 0.82 GSK3B (0.49) GSK3BCCNE2CCNE1CDK2
SCHEMBL5221843 0.81 GSK3B (0.65) GSK3BCCNE2CCNE1CDK2KCNH2
Hydrochloric Acid SCHEMBL5220027 0.81 GSK3B (0.48) GSK3BCCNE2CCNE1CDK2ALDH1A1
Hydrochloric Acid SCHEMBL3279262 0.80 GSK3B (0.64) GSK3BCCNE2CCNE1CDK2KCNH2
Hydrochloric Acid SCHEMBL5221093 0.80 GSK3B (0.77) GSK3BCCNE2CCNE1CDK2KCNH2

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