Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1074299

CCC(NC(=O)N1CCC(C(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(Cl)c(n2)N3)CC1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 11/20 0.46
JAK2 O60674 6/20 0.33
JAK1 P23458 6/20 0.33
JAK3 P52333 6/20 0.33
TYK2 P29597 5/20 0.33
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
STK26 Q9P289 1/20 0.33
STK24 Q9Y6E0 1/20 0.33
PSMB5 P28074 5/20 0.33
PSMB11 A5LHX3 1/20 0.33
PSMA7 O14818 1/20 0.33
PSMB1 P20618 1/20 0.33
PSMA1 P25786 1/20 0.33
PSMA2 P25787 1/20 0.33
PSMA3 P25788 1/20 0.33
PSMA4 P25789 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB9 P28065 1/20 0.33
PSMA5 P28066 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 SCHEMBL4357594 0.92 ALK (0.49) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL1076455 0.89 ALK (0.48) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4353822 0.88 ALK (0.52) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4357237 0.88 ALK (0.51) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4357325 0.88 ALK (0.47) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4362007 0.88 ALK (0.48) ALKJAK2JAK1JAK3TYK2
SCHEMBL4360904 0.88 ALK (0.54) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4361071 0.87 ALK (0.47) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4359097 0.86 ALK (0.51) ALKJAK2JAK1JAK3TYK2
Trifluoroacetic Acid SCHEMBL4361257 0.86 ALK (0.49) ALKJAK2JAK1JAK3TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed