Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30386136

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC1CC[N+](C)(CC2CNC2)CC1.CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NC1CC[N+](C)(CC2CNC2)CC1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 12/20 0.39
▸ AXL P30530 5/20 0.33
▸ PTK6 Q13882 1/20 0.33
▸ PTK2 Q05397 2/20 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
SCHEMBL25451174 0.96 TTK (0.39) TTKAXLPTK6PTK2
Trifluoroacetic Acid SCHEMBL30386143 0.92 TTK (0.34) TTKPTK6
Trifluoroacetic Acid SCHEMBL30384678 0.92 TTK (0.33) TTKPTK6PTK2
Trifluoroacetic Acid SCHEMBL30386173 0.91 TTK (0.34) TTKAXLPTK6PTK2
Trifluoroacetic Acid SCHEMBL25173671 0.91 TTK (0.34) TTKAXLPTK6PTK2
Trifluoroacetic Acid SCHEMBL30385852 0.91 TTK (0.33) TTKPTK6PTK2
Trifluoroacetic Acid SCHEMBL30385667 0.90 PTK6 (0.33) TTKPTK6PTK2
SCHEMBL24112510 0.90 PTK2 (0.37) TTKAXLPTK6PTK2
Trifluoroacetic Acid SCHEMBL25176003 0.90 TTK (0.33) TTKPTK6PTK2
SCHEMBL24112612 0.90 TTK (0.35) TTKAXLPTK6PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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