SCHEMBL6428260

SCHEMBL6428260

Cn1sc(=O)n(-c2ccc(-c3ccccc3)cc2)c1=O

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.80
GSK3A P49840 14/20 0.80
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
AVPR1A P37288 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL3384007 0.89 GSK3B (1.00) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL6427365 0.82 GSK3A (0.73) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3382637 0.80 GSK3A (1.00) GSK3BGSK3AMGLL
SCHEMBL3384854 0.79 GSK3A (1.00) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3382636 0.79 GSK3A (1.00) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3383077 0.79 GSK3A (1.00) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL3384147 0.76 GSK3A (1.00) GSK3BGSK3AMGLL
SCHEMBL6427982 0.73 GSK3A (0.69) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL6428649 0.71 GSK3A (0.53) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL12251828 0.70 FAAH (0.50) GSK3BGSK3AFAAHMGLLAVPR1A

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
WO-2005024755-A2 MEDICAMENTS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS OR DIABETES DECIPHERA PHARMACEUTICALS, LLC. (US) 2005-03-17 WO disclosed