Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6586877

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.38
PLK1 P53350 2/20 0.36
PIM1 P11309 1/20 0.35
CAMK2D Q13557 1/20 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
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 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 SCHEMBL6591980 0.99 ICMT (0.37) ICMTPLK1PIM1CAMK2DHSP90AA1
Trifluoroacetic Acid SCHEMBL6588425 0.94 HTR6 (0.39) PLK1HSP90AA1PTGDR2HTR6GSK3B
SCHEMBL6590083 0.93 PIM1 (0.39) ICMTPLK1PIM1CAMK2DHSP90AA1
SCHEMBL6586537 0.93 PIM1 (0.40) ICMTPLK1PIM1CAMK2DHSP90AA1
Trifluoroacetic Acid SCHEMBL6590532 0.92 CDK2 (0.38) ICMTPLK1PIM1CAMK2DHSP90AA1
Trifluoroacetic Acid SCHEMBL6585782 0.92 CAMK2D (0.45) PIM1CAMK2DHSP90AA1PTGDR2CCNT1
Trifluoroacetic Acid SCHEMBL6588330 0.92 CAMK2D (0.43) PLK1PIM1CAMK2DHSP90AA1PTGDR2
Trifluoroacetic Acid SCHEMBL6592116 0.92 PIM1 (0.35) ICMTPLK1PIM1CAMK2DHSP90AA1
Trifluoroacetic Acid SCHEMBL6591483 0.91 GSK3B (0.37) PLK1PIM1CAMK2DGSK3B
Trifluoroacetic Acid SCHEMBL6585732 0.90 PLK1 (0.35) ICMTPLK1PIM1CAMK2DHSP90AA1

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