SCHEMBL13256754

SCHEMBL13256754

Bc1sc(C(N)=O)c(-c2ccc(Cl)cc2Cl)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
GSK3A P49840 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
PIK3CA P42336 2/20 0.44
CDC7 O00311 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
DBF4 Q9UBU7 2/20 0.42
BRAF P15056 1/20 0.41
CCNT1 O60563 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CSNK1D P48730 1/20 0.39
CDK9 P50750 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GABRA1 P14867 3/20 0.38
GABRG2 P18507 3/20 0.38

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
SCHEMBL953790 0.85 GSK3B (0.44) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL953956 0.85 GSK3B (0.44) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL15744122 0.85 GSK3B (0.47) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL1551828 0.81 GRIA2 (0.44) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL7998235 0.80 PIK3CA (0.53) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL12947578 0.79 CDC7 (0.55) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL1551287 0.79 PIK3CA (0.74) PIK3CAHPGDMTORSMN1; SMN2
SCHEMBL13256892 0.77 GSK3B (0.41) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL7996384 0.77 PIK3CA (0.52) GSK3BGSK3ADYRK1ACLK4PIK3CA
SCHEMBL13105879 0.76 GSK3B (0.42) GSK3BGSK3ADYRK1ACLK4PIK3CA

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-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed