SCHEMBL5310201

SCHEMBL5310201

Cn1cc(C2=C(c3cccc4ccoc34)C(=O)NC2=O)c2cc(OCCOC(C)(C)C)ccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.48
PRKCA P17252 4/20 0.43
CDK2 P24941 1/20 0.42
PRKCB P05771 2/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
GSK3A P49840 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
SCHEMBL5254197 0.89 GSK3B (0.50) GSK3BPRKCACDK2PRKCBPRKCH
Hydrochloric Acid SCHEMBL5253479 0.85 GSK3B (0.47) GSK3BPRKCACDK2PRKCBPRKCH
Hydrochloric Acid SCHEMBL5258346 0.85 GSK3B (0.47) GSK3BPRKCACDK2PRKCBPRKCH
Hydrochloric Acid SCHEMBL5255154 0.84 GSK3B (0.48) GSK3BPRKCACDK2PRKCBPRKCH
Hydrochloric Acid SCHEMBL5252575 0.82 GSK3B (0.46) GSK3BPRKCAPRKCBPRKCHPRKCE
Hydrochloric Acid SCHEMBL5252759 0.82 GSK3B (0.44) GSK3BPRKCACDK2PRKCBPRKCH
SCHEMBL5256883 0.77 GSK3B (0.42) GSK3BPRKCAPRKCBPRKCHPRKCE
SCHEMBL5252064 0.77 GSK3B (0.41) GSK3BPRKCACDK2PRKCBPRKCH
SCHEMBL5257697 0.77 GSK3B (0.40) GSK3BPRKCACDK2PRKCBPRKCH
SCHEMBL5253874 0.77 GSK3B (0.41) GSK3BPRKCAPRKCBPRKCHPRKCE

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-1487822-B1 PYRROLE-2,5-DIONE DERIVATIVES AND THEIR USE AS GSK-3 INHIBITORS LILLY CO ELI (US) 2007-08-01 EP disclosed