Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30386113

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCN5CC[N+](C)(C)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 8/20 0.39
▸ BRAF P15056 4/20 0.34
▸ LCK P06239 3/20 0.34
▸ EGFR P00533 2/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ ERBB3 P21860 1/20 0.32
▸ ERBB4 Q15303 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ CSF1R P07333 2/20 0.31
▸ AURKB Q96GD4 1/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ GSK3A P49840 1/20 0.31

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
SCHEMBL25176442 0.88 PTK6 (0.40) PTK6LCKEGFRERBB2ERBB3
SCHEMBL22123240 0.88 PTK6 (0.50) PTK6LCKEGFRAURKB
SCHEMBL30171783 0.88 PTK6 (0.50) PTK6LCKEGFRAURKB
Iodide SCHEMBL28982230 0.88 PTK6 (0.39) PTK6LCKEGFRERBB2ERBB3
SCHEMBL25450694 0.87 PTK6 (0.40) PTK6LCKEGFRAURKAIGF1R
SCHEMBL30385489 0.86 PTK6 (0.41) PTK6BRAFLCKERBB2
SCHEMBL24112330 0.85 PTK6 (0.39) PTK6LCKEGFRERBB2ERBB3
Trifluoroacetic Acid SCHEMBL30385325 0.84 TTK (0.36) PTK6BRAFEGFRAURKA
Trifluoroacetic Acid SCHEMBL28982207 0.83 PTK6 (0.36) PTK6
SCHEMBL22123440 0.81 PTK6 (0.43) PTK6LCKAURKAAURKBMAPKAPK5

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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