Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL100924

C[Si](C)(C)CCOCN1CN=C(c2cnn(C(CC3CC3)C3CCCC3)c2)c2cc[nH]c21.O=C(O)C(F)(F)F

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.35
JAK2 O60674 4/20 0.33
JAK3 P52333 3/20 0.33
TYK2 P29597 2/20 0.33
DAPK3 O43293 2/20 0.32
PAK4 O96013 2/20 0.32
ABL1 P00519 2/20 0.32
RET P07949 2/20 0.32
LTK P29376 2/20 0.32
CSNK1A1 P48729 2/20 0.32
CLK2 P49760 2/20 0.32
TNK2 Q07912 2/20 0.32
ROCK1 Q13464 2/20 0.32
DYRK1A Q13627 2/20 0.32
IKBKE Q14164 2/20 0.32
NTRK3 Q16288 2/20 0.32
NTRK2 Q16620 2/20 0.32
LRRK2 Q5S007 2/20 0.32
TAOK1 Q7L7X3 2/20 0.32
CAMK1D Q8IU85 2/20 0.32

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 SCHEMBL100923 0.78 DGAT1 (0.34) JAK1DGAT1
Trifluoroacetic Acid SCHEMBL100922 0.76 JAK2 (0.42) JAK1JAK2JAK3TYK2DAPK3
Trifluoroacetic Acid SCHEMBL101064 0.74 JAK1 (0.38) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL21900137 0.70 RPS6KA3 (0.31) AURKAAURKB
SCHEMBL16341693 0.69 TYRO3 (0.35) JAK1JAK2
Trifluoroacetic Acid SCHEMBL101063 0.69 JAK2 (0.64) JAK1JAK2JAK3TYK2DAPK3
Trifluoroacetic Acid SCHEMBL101065 0.69 JAK1 (0.32) JAK1JAK2JAK3TYK2DAPK3
Trifluoroacetic Acid SCHEMBL29540586 0.69 JAK1 (0.32) JAK1JAK2JAK3TYK2DAPK3
Trifluoroacetic Acid SCHEMBL27929273 0.68 JAK2 (0.48) JAK1JAK2JAK3TYK2DAPK3
SCHEMBL29737197 0.67 JAK2 (0.54) JAK1JAK2JAK3TYK2DAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474545-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-07-11 EP disclosed
EP-2426129-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-03-07 EP disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed
EP-2343298-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed