Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL12812980

COc1c(CCNc2ncnc(N)c2C#N)cc(Cl)c(C)c1-c1cncc(S(C)(=O)=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.62
PIK3CG P48736 5/20 0.34
PIK3R2 O00459 1/20 0.34
MAPK8 P45983 4/20 0.33
MAPK9 P45984 4/20 0.33
MAPK10 P53779 2/20 0.33
PIK3CB P42338 4/20 0.31
PIK3CA P42336 3/20 0.31
PIK3R1 P27986 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL12813060 0.94 PIK3CD (0.69) PIK3CDPIK3CGPIK3R2MAPK8MAPK9
SCHEMBL12813115 0.87 PIK3CD (0.59) PIK3CDPIK3CGPIK3R2MAPK8MAPK9
Trifluoroacetic Acid SCHEMBL12812979 0.84 PIK3CD (0.88) PIK3CDPIK3CGPIK3R2PIK3CBPIK3R1
SCHEMBL12813133 0.84 PIK3CD (0.55) PIK3CDPIK3CGPIK3R2MAPK8MAPK9
SCHEMBL12813128 0.78 PIK3CD (0.46) PIK3CDPIK3CAPIK3R1
SCHEMBL12813098 0.77 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2MAPK8MAPK9
Trifluoroacetic Acid SCHEMBL15487455 0.77 PIK3CD (0.75) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA
SCHEMBL12813084 0.77 PIK3CD (0.46) PIK3CDPIK3CGPIK3R2MAPK8MAPK9
SCHEMBL12813059 0.77 PIK3CD (1.00) PIK3CDPIK3CGPIK3R2PIK3CBPIK3R1
SCHEMBL12813252 0.76 PIK3CD (0.43) PIK3CDPIK3CGPIK3R2PIK3CBPIK3CA

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-2012135009-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-10-04 WO disclosed