SCHEMBL934985

SCHEMBL934985

CC(=O)Nc1nc(C)c(-c2cnc(Cl)c(NS(=O)(=O)c3cccc4nsnc34)c2)s1.Cc1nc(CC(N)=O)sc1-c1cnc(Cl)c(NS(=O)(=O)c2cn(C)cn2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 18/20 0.52
PIK3CD O00329 18/20 0.52
PIK3CA P42336 17/20 0.52
PIK3CG P48736 17/20 0.52
PIK3C3 Q8NEB9 3/20 0.47
PIK3C2B O00750 2/20 0.47
PI4KA P42356 2/20 0.47
PI4KB Q9UBF8 2/20 0.47
PIK3C2A O00443 1/20 0.47
AKT1 P31749 1/20 0.45

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
SCHEMBL3269567 0.86 PIK3CB (0.69) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3
SCHEMBL925491 0.83 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3
Trifluoroacetic Acid SCHEMBL926063 0.80 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3
Trifluoroacetic Acid SCHEMBL924671 0.78 PIK3CD (0.64) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3
SCHEMBL924333 0.75 PIK3CB (0.70) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3
SCHEMBL959814 0.71 PIK3CD (0.71) PIK3CBPIK3CDPIK3CAPIK3CGAKT1
SCHEMBL927408 0.71 PIK3CB (0.75) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3
SCHEMBL924973 0.70 PIK3CB (1.00) PIK3CBPIK3CDPIK3CAPIK3CGAKT1
SCHEMBL926025 0.69 PIK3CB (0.79) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3
SCHEMBL924930 0.69 PIK3CB (0.71) PIK3CBPIK3CDPIK3CAPIK3CGPIK3C3

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
US-7868188-B2 5-heteroaryl thiazoles and their use as PI3K inhibitors ASTRAZENECA AB (SE) 2011-01-11 US disclosed