Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6591980

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCCN)c3ccc(F)cc23)c2cc(F)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.37
PIM1 P11309 1/20 0.35
CAMK2D Q13557 1/20 0.35
PLK1 P53350 2/20 0.35
HSP90AA1 P07900 5/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.34
HTR6 P50406 1/20 0.34
GSK3B P49841 3/20 0.33
PRKCA P17252 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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 SCHEMBL6586877 0.99 ICMT (0.38) ICMTPIM1CAMK2DPLK1HSP90AA1
Trifluoroacetic Acid SCHEMBL6588425 0.94 HTR6 (0.39) PLK1HSP90AA1PTGDR2HTR6GSK3B
SCHEMBL6586537 0.93 PIM1 (0.40) ICMTPIM1CAMK2DPLK1HSP90AA1
Trifluoroacetic Acid SCHEMBL6590532 0.93 CDK2 (0.38) ICMTPIM1CAMK2DPLK1HSP90AA1
Trifluoroacetic Acid SCHEMBL6585782 0.93 CAMK2D (0.45) PIM1CAMK2DHSP90AA1PTGDR2
Trifluoroacetic Acid SCHEMBL6588330 0.93 CAMK2D (0.43) PIM1CAMK2DPLK1HSP90AA1PTGDR2
SCHEMBL6590083 0.93 PIM1 (0.39) ICMTPIM1CAMK2DPLK1HSP90AA1
Trifluoroacetic Acid SCHEMBL6592116 0.92 PIM1 (0.35) ICMTPIM1CAMK2DPLK1HSP90AA1
Trifluoroacetic Acid SCHEMBL6591483 0.92 GSK3B (0.37) PIM1CAMK2DPLK1GSK3B
Trifluoroacetic Acid SCHEMBL6585732 0.91 PLK1 (0.35) ICMTPIM1CAMK2DPLK1HSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed
EP-1183252-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-03-06 EP disclosed
WO-2000071537-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-11-30 WO disclosed