SCHEMBL6429448

SCHEMBL6429448

Cn1sc(=O)n(Cc2ccc(Br)cc2)c1=O

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.71
GSK3A P49840 6/20 0.71
CCNB2 O95067 1/20 0.71
CDK1 P06493 1/20 0.71
CCNB1 P14635 1/20 0.71
CCNB3 Q8WWL7 1/20 0.71
RGS4 P49798 11/20 0.49
RGS8 P57771 10/20 0.49
PRKCA P17252 2/20 0.46
RGS16 O15492 1/20 0.43
RGS19 P49795 1/20 0.43

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
SCHEMBL5023669 0.85 GSK3A (0.73) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL5023665 0.85 GSK3B (0.73) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL18802339 0.83 GSK3B (0.71) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL139834 0.83 GSK3B (1.00) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL29210526 0.81 RGS4 (0.73) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL5023670 0.81 GSK3A (0.67) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL29210473 0.80 GSK3B (0.54) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL6427057 0.80 GSK3A (0.65) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL18809907 0.72 HDAC3 (0.54) GSK3BGSK3ACCNB2CDK1CCNB1
SCHEMBL18810124 0.70 GSK3A (0.52) GSK3BGSK3ACCNB2CDK1CCNB1

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