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SCHEMBL5260122

SCHEMBL5260122

CC(C)n1cc(C2=C(c3c(F)ccc4ccoc34)C(=O)NC2=O)c2cc(OCCCCBr)ccc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ QPCT Q16769 2/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MGAT2 Q10469 1/20 0.32

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
SCHEMBL27598059 0.92 GSK3B (0.37) GSK3BGSK3AQPCTCNR2MGAT2
Hydrochloric Acid SCHEMBL5255252 0.90 SIGMAR1 (0.42) GSK3BGSK3AQPCT
SCHEMBL5252381 0.88 GSK3B (0.40) GSK3BGSK3AQPCTCNR2MGAT2
SCHEMBL5257697 0.87 GSK3B (0.40) GSK3BGSK3AQPCTCNR2
SCHEMBL5252064 0.85 GSK3B (0.41) GSK3BGSK3AQPCT
Hydrochloric Acid SCHEMBL5254422 0.82 SIGMAR1 (0.42) GSK3BGSK3AQPCT
SCHEMBL5257980 0.80 GSK3B (0.42) GSK3BGSK3AQPCT
SCHEMBL5253874 0.79 GSK3B (0.41) GSK3BGSK3ACNR2
SCHEMBL5252491 0.79 SIGMAR1 (0.45) GSK3BGSK3AQPCT
SCHEMBL5256883 0.79 GSK3B (0.42) GSK3BGSK3A

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-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 — — EP disclosed
CN-1639152-A Pyrrole-2, 5-dione derivatives and their use as GSK-3 inhibitors LILLY CO ELI (US) 2005-07-13 — — CN disclosed