Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL860378

CC(C#N)n1cc(-c2ncnc3[nH]ccc23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.54
JAK1 P23458 9/20 0.54
JAK3 P52333 6/20 0.54
TYK2 P29597 4/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
DAPK3 O43293 2/20 0.52
PAK4 O96013 2/20 0.52
ABL1 P00519 2/20 0.52
RET P07949 2/20 0.52
LTK P29376 2/20 0.52
CSNK1A1 P48729 2/20 0.52
CLK2 P49760 2/20 0.52

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 SCHEMBL30663320 0.90 JAK2 (0.61) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL101615 0.90 JAK2 (0.61) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL30663370 0.90 JAK2 (0.61) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL100405 0.90 JAK2 (0.61) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL4093227 0.84 JAK2 (0.59) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL103490 0.84 JAK2 (0.52) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL4092640 0.84 JAK2 (0.61) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL20943722 0.84 JAK2 (0.65) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL98584 0.84 JAK2 (0.65) JAK2JAK1JAK3TYK2HDAC6
Trifluoroacetic Acid SCHEMBL29540645 0.84 JAK2 (0.60) JAK2JAK1JAK3TYK2HDAC6

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-2432555-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-03-28 EP disclosed