Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6585732

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

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.35
PIM1 P11309 2/20 0.34
CAMK2D Q13557 1/20 0.34
GSK3B P49841 2/20 0.33
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
HSP90AA1 P07900 1/20 0.32
ICMT O60725 1/20 0.32
AR P10275 4/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
HTR3A P46098 1/20 0.32
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31

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 SCHEMBL6589143 0.95 PIM1 (0.33) PLK1PIM1CAMK2DPIK3R1PIK3CA
SCHEMBL6588023 0.94 PLK1 (0.39) PLK1PIM1CAMK2DGSK3BPIK3R1
Hydrochloric Acid SCHEMBL6588521 0.93 PLK1 (0.39) PLK1PIM1CAMK2DGSK3BPIK3R1
Trifluoroacetic Acid SCHEMBL6591980 0.91 ICMT (0.37) PLK1PIM1CAMK2DGSK3BHSP90AA1
Trifluoroacetic Acid SCHEMBL6586877 0.90 ICMT (0.38) PLK1PIM1CAMK2DGSK3BHSP90AA1
Trifluoroacetic Acid SCHEMBL6590532 0.89 CDK2 (0.38) PLK1PIM1CAMK2DGSK3BHSP90AA1
Trifluoroacetic Acid SCHEMBL6585782 0.89 CAMK2D (0.45) PIM1CAMK2DHSP90AA1PTGDR2CDK9
Trifluoroacetic Acid SCHEMBL6588330 0.89 CAMK2D (0.43) PLK1PIM1CAMK2DGSK3BHSP90AA1
Trifluoroacetic Acid SCHEMBL6588425 0.89 HTR6 (0.39) PLK1GSK3BHSP90AA1PTGDR2AURKA
Trifluoroacetic Acid SCHEMBL6592116 0.88 PIM1 (0.35) PLK1PIM1CAMK2DGSK3BHSP90AA1

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 5 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
CN-1351602-A Novel Pharmaceutically Active Compounds ASTRAZENECA AB (SE) 2002-05-29 CN 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