Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6589143

Cn1cc(-c2n[nH]c(=O)n2-c2cn(CCCN)c3ccc(F)cc23)c2ccc(C#N)cc21.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.33
CAMK2D Q13557 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PLK1 P53350 2/20 0.32
HSP90AA1 P07900 2/20 0.32
ICMT O60725 1/20 0.31
CHEK1 O14757 1/20 0.31
AR P10275 4/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
SCN9A Q15858 1/20 0.31
GPR6 P46095 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 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 SCHEMBL6585732 0.95 PLK1 (0.35) PIM1CAMK2DPIK3R1PIK3CAPLK1
Trifluoroacetic Acid SCHEMBL6590147 0.90 HSP90AA1 (0.38) PIM1CAMK2DPLK1HSP90AA1ICMT
Trifluoroacetic Acid SCHEMBL6590827 0.89 PIM1 (0.35) PIM1CAMK2DPLK1HSP90AA1ICMT
Trifluoroacetic Acid SCHEMBL6586732 0.89 PTGDR2 (0.37) PIM1CAMK2DPLK1HSP90AA1ICMT
SCHEMBL6588023 0.89 PLK1 (0.39) PIM1CAMK2DPIK3R1PIK3CAPLK1
Trifluoroacetic Acid SCHEMBL6585782 0.88 CAMK2D (0.45) PIM1CAMK2DHSP90AA1PTGDR2
Hydrochloric Acid SCHEMBL6588521 0.88 PLK1 (0.39) PIM1CAMK2DPIK3R1PIK3CAPLK1
Trifluoroacetic Acid SCHEMBL6586373 0.88 IDO1 (0.36) PIM1CAMK2DPLK1HSP90AA1PTGDR2
Trifluoroacetic Acid SCHEMBL6588085 0.88 GSK3B (0.36) PIM1CAMK2DPIK3R1PIK3CAPLK1
Trifluoroacetic Acid SCHEMBL6591980 0.87 ICMT (0.37) PIM1CAMK2DPLK1HSP90AA1ICMT

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