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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30386106

COC(=O)c1ccc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 11/20 0.47
▸ LCK P06239 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ PTK2 Q05397 3/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ EGFR P00533 1/20 0.34

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
SCHEMBL30385212 0.95 PTK6 (0.50) PTK6LCKAURKBSYKPTK2
SCHEMBL30385303 0.90 PTK6 (0.48) PTK6LCKAURKBSYKTTK
SCHEMBL22123969 0.90 PTK6 (0.48) PTK6LCKAURKBSYKTTK
SCHEMBL22139113 0.88 PTK6 (0.48) PTK6LCKAURKBSYKMAPKAPK5
SCHEMBL30172107 0.88 PTK6 (0.48) PTK6LCKAURKBSYKMAPKAPK5
SCHEMBL25173403 0.86 SYK (0.41) PTK6AURKBSYKPTK2TTK
SCHEMBL22125440 0.86 PTK6 (0.59) PTK6LCKAURKB
SCHEMBL30171569 0.86 PTK6 (0.59) PTK6LCKAURKB
SCHEMBL30384711 0.86 PTK6 (0.47) PTK6LCKAURKBSYKMAPKAPK5
SCHEMBL30386051 0.86 PTK6 (0.40) PTK6AURKBSYKPTK2TTK

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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