Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL27879697

Cc1nc(-c2cc(Cc3ccc(S(C)(=O)=O)cc3)cnc2-n2ncc3c(N)cccc32)c2nc[nH]c2n1.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.42
MTOR P42345 3/20 0.42
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CCR1 P32246 7/20 0.36
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
Trifluoroacetic Acid SCHEMBL115624 0.73 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL116045 0.70 PIK3CA (0.79) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL14806834 0.68 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL114134 0.66 PIK3CA (0.81) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL114570 0.66 PIK3CA (0.80) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16612947 0.65 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL27879656 0.60 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL16613045 0.59 PIK3CA (0.35) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL27863274 0.59 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL167311 0.55 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 CN disclosed