Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6983049

CCC(NC(=N)N)n1cc(-c2c[nH]c(=O)n2-c2c[nH]c3ccccc23)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 5/20 0.33
PRKACG P22612 5/20 0.33
PRKACB P22694 5/20 0.33
CAMK2D Q13557 2/20 0.33
RPS6KB1 P23443 1/20 0.33
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
CDK4 P11802 3/20 0.32
CCND1 P24385 3/20 0.32
KDM4E B2RXH2 1/20 0.31
CCKBR P32239 1/20 0.31
IDO1 P14902 1/20 0.30
PIM1 P11309 2/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MEN1 O00255 1/20 0.30
PRKD3 O94806 1/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
TP53 P04637 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 SCHEMBL6983051 0.81 CAMK2D (0.46) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL6976738 0.79 RPS6KB1 (0.32) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
Trifluoroacetic Acid SCHEMBL7011017 0.78 CAMK2D (0.54) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
Trifluoroacetic Acid SCHEMBL7006503 0.74 TPSAB1 (0.43) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
Acetic Acid SCHEMBL7014928 0.72 PRKCB (0.54) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL7005539 0.70 CDK4 (0.55) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL7005333 0.70 PRKCB (0.56) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL7007889 0.68 CAMK2D (0.62) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL7009039 0.68 PRKACA (0.62) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
Acetic Acid SCHEMBL7007595 0.68 PRKCA (0.59) PRKACAPRKACGPRKACBCAMK2DRPS6KB1

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