Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6983051

N=C(N)NCCCn1cc(-c2c[nH]c(=O)n2-c2c[nH]c3ccccc23)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 6/20 0.46
PRKACA P17612 7/20 0.43
PRKACG P22612 7/20 0.43
PRKACB P22694 7/20 0.43
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
RPS6KB1 P23443 2/20 0.40
PRKCB P05771 3/20 0.38
PRKCA P17252 3/20 0.38
PRKCE Q02156 3/20 0.38
GSK3B P49841 3/20 0.38
MEN1 O00255 2/20 0.38
PRKD3 O94806 2/20 0.38
CCNB2 O95067 2/20 0.38
TP53 P04637 2/20 0.38
PRKCG P05129 2/20 0.38
CDK1 P06493 2/20 0.38
CYP3A4 P08684 2/20 0.38

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 SCHEMBL7011017 0.87 CAMK2D (0.54) CAMK2DPRKACAPRKACGPRKACBCDK4
Trifluoroacetic Acid SCHEMBL6983049 0.81 PRKACA (0.33) CAMK2DPRKACAPRKACGPRKACBCDK4
SCHEMBL6976742 0.80 PRKACA (0.43) CAMK2DPRKACAPRKACGPRKACBCDK4
SCHEMBL7005333 0.80 PRKCB (0.56) CAMK2DPRKACAPRKACGPRKACBCDK4
Acetic Acid SCHEMBL7014928 0.79 PRKCB (0.54) CAMK2DPRKACAPRKACGPRKACBCDK4
SCHEMBL7009039 0.79 PRKACA (0.62) CAMK2DPRKACAPRKACGPRKACBCDK4
SCHEMBL7007889 0.79 CAMK2D (0.62) CAMK2DPRKACAPRKACGPRKACBCDK4
Trifluoroacetic Acid SCHEMBL7006503 0.78 TPSAB1 (0.43) CAMK2DPRKACAPRKACGPRKACBCDK4
Trifluoroacetic Acid SCHEMBL7009849 0.77 CAMK2D (0.51) CAMK2DPRKACAPRKACGPRKACBRPS6KB1
Acetic Acid SCHEMBL7007595 0.76 PRKCA (0.59) CAMK2DPRKACAPRKACGPRKACBCDK4

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