Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6984346

CN(C)CCCn1cc(-c2c(C#N)[nH]c(=O)n2-c2cn(C)c3ccccc23)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 9/20 0.50
PRKACA P17612 3/20 0.50
PRKACG P22612 3/20 0.50
PRKACB P22694 3/20 0.50
PIM1 P11309 3/20 0.50
PRKCB P05771 8/20 0.43
PRKCE Q02156 7/20 0.43
PRKCH P24723 3/20 0.42
PRKCQ Q04759 3/20 0.42
PRKCD Q05655 3/20 0.42
CCNB2 O95067 3/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNB3 Q8WWL7 3/20 0.42
CDK2 P24941 2/20 0.41
GSK3B P49841 2/20 0.41
MEN1 O00255 1/20 0.41
PRKD3 O94806 1/20 0.41
CCNE2 O96020 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL6975188 0.93 PRKCA (0.57) PRKCAPRKACAPRKACGPRKACBPIM1
Trifluoroacetic Acid SCHEMBL6977475 0.90 CAMK2D (0.48) PIM1CDK2CCNT1CDK9CCNA2
Trifluoroacetic Acid SCHEMBL6982808 0.89 CAMK2D (0.46) PRKCAPIM1PRKCBPRKCEPRKCH
Trifluoroacetic Acid SCHEMBL6979888 0.89 PRKACA (0.41) PRKCAPRKACAPRKACGPRKACBPIM1
Trifluoroacetic Acid SCHEMBL6978145 0.87 CCNT1 (0.39) PRKCAPRKACAPRKACGPRKACBPIM1
Trifluoroacetic Acid SCHEMBL6978585 0.87 CCNT1 (0.40) PRKCAPRKACAPRKACGPRKACBPIM1
Trifluoroacetic Acid SCHEMBL6977279 0.87 CAMK2D (0.41) PRKCAPIM1PRKCBPRKCEPRKCH
Trifluoroacetic Acid SCHEMBL6981733 0.85 CAMK2D (0.42) PRKCAPIM1PRKCBPRKCEPRKCH
Trifluoroacetic Acid SCHEMBL6983900 0.85 IDH1 (0.54) PRKCAPRKCBPRKCEGSK3B
Trifluoroacetic Acid SCHEMBL6986763 0.84 TPSAB1 (0.38) PRKCAPIM1PRKCBPRKCEPRKCH

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-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed