SCHEMBL5221380

SCHEMBL5221380

NC(=O)CCNC(=O)Oc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cnc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.51
CCNE2 O96020 10/20 0.51
CCNE1 P24864 10/20 0.51
CDK2 P24941 10/20 0.51
GSK3A P49840 1/20 0.42
NAMPT P43490 1/20 0.41
MAPK1 P28482 3/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5226361 0.88 GSK3B (0.49) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5225728 0.85 GSK3B (0.60) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL5224249 0.85 GSK3B (0.49) GSK3BCCNE2CCNE1CDK2MEN1
SCHEMBL3273882 0.84 GSK3B (0.67) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL5220027 0.84 GSK3B (0.48) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5219446 0.84 GSK3B (0.51) GSK3BCCNE2CCNE1CDK2USP2
Hydrochloric Acid SCHEMBL5223876 0.84 CYP1A2 (0.58) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL5223613 0.81 GSK3B (0.61) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL5224554 0.81 GSK3B (0.61) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL5223643 0.81 GSK3B (0.61) 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