SCHEMBL16705135

SCHEMBL16705135

CC(C)c1c(-c2ccc(O)cc2)[nH]c2nccnc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 18/20 0.74
GSK3B P49841 18/20 0.74
CDK1 P06493 17/20 0.74
CCNB2 O95067 16/20 0.74
CCNB1 P14635 16/20 0.74
CCNB3 Q8WWL7 16/20 0.74
CDK5 Q00535 14/20 0.74
CDK5R1 Q15078 13/20 0.74
MAPK8 P45983 3/20 0.56
CDK2 P24941 3/20 0.56
CCNE1 P24864 2/20 0.56
CCNE2 O96020 1/20 0.56
INSR P06213 1/20 0.56
CFTR P13569 1/20 0.56
CCNA2 P20248 1/20 0.56
MAPK3 P27361 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPK9 P45984 1/20 0.56
MAPK10 P53779 1/20 0.56
CCNA1 P78396 1/20 0.56

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
SCHEMBL13950079 0.86 GSK3A (0.60) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL490956 0.85 CDK1 (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL31069480 0.85 CDK1 (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL1777366 0.84 GSK3A (0.73) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL490964 0.82 CDK1 (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
Bromide SCHEMBL490592 0.78 GSK3A (0.97) GSK3AGSK3BCDK1CCNB2CCNB1
Bromide SCHEMBL490395 0.72 GSK3A (0.97) GSK3AGSK3BCDK1CCNB2CCNB1
Bromide SCHEMBL490385 0.71 GSK3A (0.59) GSK3AGSK3BCDK1CCNB2CCNB1
Aloisine A SCHEMBL80147 0.71 GSK3A (1.00) GSK3AGSK3BCDK1CCNB2CCNB1
SCHEMBL14506380 0.70 CCNB2 (0.53) GSK3AGSK3BCDK1CCNB2CCNB1

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
US-20160024497-A1 Compositions And Methods For Inhibiting Expression Of GSK-3 Genes ALNYLAM PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-9029525-B2 Compositions and methods for inhibiting expression of GSK-3 genes ALNYLAM PHARMACEUTICALS, INC. (US) 2015-05-12 US disclosed