SCHEMBL3269564

SCHEMBL3269564

Cc1nc(NC(=O)COC(=O)C(F)(F)F)sc1-c1cnc(Cl)c(NS(=O)(=O)c2ccc(OCCC#N)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.59
PIK3C3 Q8NEB9 2/20 0.59
PIK3CB P42338 18/20 0.58
PIK3CG P48736 18/20 0.58
PIK3CA P42336 17/20 0.58
PIK3C2A O00443 1/20 0.51
PIK3C2B O00750 1/20 0.51
PI4KA P42356 1/20 0.51
PI4KB Q9UBF8 1/20 0.51

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
Trifluoroacetic Acid SCHEMBL3269557 0.88 PIK3CD (0.66) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL925661 0.88 PIK3CD (0.65) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL925319 0.88 PIK3CD (0.60) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL926038 0.87 PIK3CD (0.75) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL927078 0.87 PIK3CD (0.71) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL924991 0.85 PIK3CD (0.61) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL926035 0.83 PIK3CD (0.62) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL924531 0.83 PIK3CD (0.58) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL924743 0.82 PIK3CB (0.68) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA
SCHEMBL925874 0.81 PIK3CD (0.61) PIK3CDPIK3C3PIK3CBPIK3CGPIK3CA

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
EP-1841763-B1 5-HETEROARYL THIAZOLES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2010-06-30 EP disclosed