Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22123750

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5CCS(=O)(=O)CC5)c(Cl)c4)nccn23)c(F)c1F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.39
▸ CNR2 P34972 4/20 0.36
▸ TTK P33981 6/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ LCK P06239 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ HTR4 Q13639 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL22123835 0.96 PTK6 (0.42) PTK6CNR2TTKPTK2LCK
SCHEMBL22123879 0.88 PTK6 (0.48) PTK6CNR2TTKPTK2LCK
SCHEMBL30172049 0.88 PTK6 (0.42) PTK6CNR2TTKPTK2LCK
SCHEMBL22122927 0.88 TTK (0.45) PTK6CNR2TTKCYP1A2NPC1
SCHEMBL22154151 0.88 PTK6 (0.42) PTK6CNR2TTKPTK2LCK
SCHEMBL22154766 0.88 PTK6 (0.41) PTK6CNR2TTKCYP1A2LCK
SCHEMBL24910595 0.87 PTK6 (0.41) PTK6CNR2TTKCYP1A2LCK
SCHEMBL22142803 0.86 PTK6 (0.41) PTK6CNR2TTKCYP1A2LCK
SCHEMBL22139109 0.85 PTK6 (0.46) PTK6TTKPTK2LCKHTR4
SCHEMBL30171819 0.85 PTK6 (0.46) PTK6TTKPTK2LCKHTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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
EP-3897839-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
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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