Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22123774

Cc1cc(Nc2nccn3c(-c4ccc(OC(C)C#N)c(F)c4F)cnc23)ccc1C(=O)N1CCC(CN)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.37
▸ TTK P33981 2/20 0.36
▸ JAK2 O60674 10/20 0.33
▸ JAK1 P23458 9/20 0.33
▸ LCK P06239 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ MAP3K7 O43318 2/20 0.33
▸ TAB1 Q15750 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL22124299 0.96 PTK6 (0.40) PTK6TTKJAK2JAK1LCK
SCHEMBL30183873 0.96 PTK6 (0.40) PTK6TTKJAK2JAK1LCK
SCHEMBL22124224 0.90 PTK6 (0.39) PTK6TTKJAK2JAK1LCK
SCHEMBL22142731 0.88 PTK6 (0.40) PTK6TTKLCKAURKBMAPKAPK5
Formic Acid SCHEMBL30177639 0.88 PTK6 (0.38) PTK6TTKJAK2JAK1LCK
SCHEMBL22124183 0.87 PTK6 (0.40) PTK6TTKJAK2JAK1LCK
SCHEMBL30172050 0.87 PTK6 (0.41) PTK6TTKJAK2JAK1LCK
SCHEMBL22124075 0.87 PTK6 (0.41) PTK6TTKJAK2JAK1LCK
SCHEMBL22123536 0.87 PTK6 (0.40) PTK6TTKJAK2JAK1LCK
SCHEMBL22123938 0.86 PTK6 (0.43) PTK6TTKLCKAURKBMAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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