Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5134407

CC(C)(C(=O)O)n1cc(-c2ccnc3[nH]ccc23)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 4/20 0.57
AURKA O14965 3/20 0.57
INCENP Q9NQS7 1/20 0.57
TPX2 Q9ULW0 1/20 0.57
GRM4 Q14833 1/20 0.53
JAK1 P23458 6/20 0.50
JAK2 O60674 7/20 0.48
NUDT1 P36639 1/20 0.46
JAK3 P52333 3/20 0.46
IKBKB O14920 2/20 0.46
CHUK O15111 2/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46

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
SCHEMBL100576 0.96 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4
Trifluoroacetic Acid SCHEMBL100051 0.88 AURKA (0.49) AURKBAURKAINCENPTPX2GRM4
Trifluoroacetic Acid SCHEMBL29540674 0.88 AURKB (0.51) AURKBAURKAINCENPTPX2GRM4
Trifluoroacetic Acid SCHEMBL4094031 0.88 JAK2 (0.54) AURKBAURKAINCENPTPX2GRM4
Trifluoroacetic Acid SCHEMBL99616 0.88 AURKB (0.51) AURKBAURKAINCENPTPX2GRM4
SCHEMBL13774666 0.86 AURKB (0.62) AURKBAURKAINCENPTPX2GRM4
SCHEMBL28055284 0.86 AURKA (0.54) AURKBAURKAINCENPTPX2GRM4
Trifluoroacetic Acid SCHEMBL29540483 0.85 JAK2 (0.49) AURKBAURKAINCENPTPX2GRM4
Trifluoroacetic Acid SCHEMBL2144750 0.85 JAK2 (0.49) AURKBAURKAINCENPTPX2GRM4
SCHEMBL99011 0.85 AURKB (0.60) AURKBAURKAINCENPTPX2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103214484-B Pyrrolo-[2,3-b] pyridine replaced as the heteroaryl of Janus inhibitors of kinases and pyrrolo-[2,3-b] pyrimidine 因塞特控股公司 2016-07-06 CN disclosed
EP-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed