Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1073176

Nc1ccc2cc1CCc1cncc(c1)Nc1nccc(n1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.52
TYK2 P29597 4/20 0.52
JAK3 P52333 3/20 0.52
JAK1 P23458 2/20 0.52
BMPR2 Q13873 2/20 0.34
CDK2 P24941 3/20 0.33
FLT3 P36888 3/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
ALK Q9UM73 1/20 0.31
CCNA2 P20248 1/20 0.30
CCNA1 P78396 1/20 0.30

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
SCHEMBL1074730 0.91 TYK2 (0.60) JAK2TYK2JAK3JAK1BMPR2
Trifluoroacetic Acid SCHEMBL1076070 0.85 BMPR2 (0.47) JAK2TYK2JAK3JAK1BMPR2
Trifluoroacetic Acid SCHEMBL1072466 0.84 JAK2 (0.66) JAK2TYK2JAK3JAK1ALK
Trifluoroacetic Acid SCHEMBL1075014 0.84 JAK2 (0.66) JAK2TYK2JAK3JAK1ALK
Trifluoroacetic Acid SCHEMBL1075155 0.84 JAK2 (0.55) JAK2TYK2JAK3JAK1FLT3
Trifluoroacetic Acid SCHEMBL1073013 0.83 JAK2 (0.55) JAK2TYK2JAK3JAK1FLT3
Trifluoroacetic Acid SCHEMBL1075017 0.80 ALK (0.37) JAK2TYK2JAK3JAK1CDK2
SCHEMBL1082920 0.79 JAK2 (0.42) JAK2TYK2JAK3JAK1BMPR2
Hydrochloric Acid SCHEMBL1075957 0.78 BMPR2 (0.51) JAK2TYK2JAK3JAK1BMPR2
Trifluoroacetic Acid SCHEMBL1071674 0.77 BMPR2 (0.53) JAK2TYK2JAK3JAK1BMPR2

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