Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22123238

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCOCCN5CCNC(=O)C5)c(C)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 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 9/20 0.39
▸ HTR2A P28223 2/20 0.36
▸ FGFR3 P22607 2/20 0.35
▸ PTK6 Q13882 3/20 0.35
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ AURKB Q96GD4 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 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
SCHEMBL22123141 0.97 TTK (0.38) TTKHTR2AFGFR3PTK6CCNT1
SCHEMBL22123763 0.91 TTK (0.39) TTKFGFR3PTK6CCNT1CDK9
SCHEMBL30171778 0.91 TTK (0.39) TTKFGFR3PTK6CCNT1CDK9
SCHEMBL22123810 0.85 TTK (0.40) TTKPTK6
SCHEMBL22122922 0.85 PTK6 (0.43) TTKFGFR3PTK6AURKB
SCHEMBL30171553 0.85 PTK6 (0.43) TTKFGFR3PTK6AURKB
SCHEMBL30171824 0.85 PTK6 (0.44) TTKFGFR3PTK6CCNT1CDK9
SCHEMBL22123977 0.85 PTK6 (0.44) TTKFGFR3PTK6CCNT1CDK9
SCHEMBL25444479 0.85 PTK6 (0.42) TTKHTR2AFGFR3PTK6AURKB
Hydrochloric Acid SCHEMBL30171690 0.84 PTK6 (0.43) TTKFGFR3PTK6CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-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-2020126953-A1 NOVEL 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
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