Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30385230

CCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)C2CC[N+](C)(CC3CNC3)CC2)CC1.O=C([O-])C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.36
▸ AURKB Q96GD4 4/20 0.32
▸ LCK P06239 3/20 0.32
▸ TTK P33981 1/20 0.30
▸ TBK1 Q9UHD2 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL25176066 0.96 PTK6 (0.37) PTK6AURKBLCKTTK
SCHEMBL32675710 0.96 PTK6 (0.39) PTK6AURKBLCKTTKTBK1
SCHEMBL24112644 0.96 PTK6 (0.39) PTK6AURKBLCKTTKTBK1
Trifluoroacetic Acid SCHEMBL25167712 0.93 PTK6 (0.36) PTK6AURKBLCKTTK
Trifluoroacetic Acid SCHEMBL25170423 0.93 PTK6 (0.32) PTK6
Trifluoroacetic Acid SCHEMBL30386141 0.93 PTK6 (0.33) PTK6
SCHEMBL32675702 0.93 PTK6 (0.39) PTK6AURKBLCKTTKTBK1
SCHEMBL24112409 0.93 PTK6 (0.39) PTK6AURKBLCKTTKTBK1
SCHEMBL24112641 0.93 PTK6 (0.39) PTK6AURKBLCK
Trifluoroacetic Acid SCHEMBL30385982 0.92 PTK6 (0.35) PTK6AURKBLCKTTK

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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