Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3687955

COc1ccc(Cl)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(CCNCCN(C)C)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 18/20 0.56
PIK3CD O00329 3/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56
PRKDC P78527 1/20 0.56
PIK3C3 Q8NEB9 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
Trifluoroacetic Acid SCHEMBL189603 0.85 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL3687959 0.84 PIK3CG (0.43) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14053016 0.83 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188600 0.82 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL14053095 0.82 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188531 0.81 PIK3CD (0.69) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188336 0.79 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL21036414 0.79 PIK3CG (0.64) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL16029977 0.79 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188775 0.79 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

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
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed