SCHEMBL5222268

SCHEMBL5222268

CC(=O)NCCNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnc1N

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.82
CCNE2 O96020 15/20 0.82
CCNE1 P24864 15/20 0.82
CDK2 P24941 15/20 0.82
GSK3A P49840 1/20 0.66
PRKDC P78527 1/20 0.49
ATR Q13535 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 SCHEMBL3273594 0.99 GSK3B (0.80) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5223562 0.91 GSK3B (0.82) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3273865 0.90 GSK3B (0.80) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5224389 0.90 GSK3B (0.80) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3274498 0.89 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3277832 0.89 GSK3B (0.79) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5219546 0.89 GSK3B (1.00) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3274706 0.88 GSK3B (0.98) GSK3BCCNE2CCNE1CDK2GSK3A
SCHEMBL5220043 0.88 GSK3B (0.78) GSK3BCCNE2CCNE1CDK2GSK3A
Hydrochloric Acid SCHEMBL3273957 0.88 GSK3B (0.77) 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 4 patents. 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
JP-2006512337-A 2006-04-13 JP claimed
EP-1575942-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP claimed
WO-2004055009-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 WO claimed