Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30385667

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)CC1.CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)NCC1CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)CC1.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 1/20 0.33
▸ PTK2 Q05397 3/20 0.33
▸ TTK P33981 4/20 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
SCHEMBL25451152 0.96 PTK6 (0.35) PTK6PTK2TTK
SCHEMBL24112510 0.91 PTK2 (0.37) PTK6PTK2TTK
Trifluoroacetic Acid SCHEMBL30386136 0.90 TTK (0.39) PTK6PTK2TTK
Trifluoroacetic Acid SCHEMBL30385645 0.90 PTK6 (0.30) PTK6
Trifluoroacetic Acid SCHEMBL30384678 0.90 TTK (0.33) PTK6PTK2TTK
Trifluoroacetic Acid SCHEMBL30386467 0.90 PTK6 (0.30) PTK6
SCHEMBL32675691 0.90 PTK2 (0.33) PTK6PTK2TTK
Trifluoroacetic Acid SCHEMBL30385559 0.89 TTK (0.33) PTK2TTK
Trifluoroacetic Acid SCHEMBL30171818 0.88 PTK2 (0.39) PTK6PTK2TTK
Trifluoroacetic Acid SCHEMBL30385277 0.88 TTK (0.35) PTK6PTK2TTK

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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