Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30385325

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCC5CC[N+](C)(C)CC5)c(C)c4)nccn23)c(F)c1F.O=C([O-])C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 10/20 0.36
▸ PTK6 Q13882 1/20 0.32
▸ BRAF P15056 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ MAP3K7 O43318 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TAB1 Q15750 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ SYK P43405 3/20 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
SCHEMBL25450699 0.96 TTK (0.37) TTKPTK6EGFRAURKAMAP3K7
SCHEMBL24112408 0.93 TTK (0.36) TTKPTK6EGFRAURKAMAP3K7
SCHEMBL25450694 0.90 PTK6 (0.40) TTKPTK6EGFRAURKA
SCHEMBL22123694 0.88 TTK (0.41) TTKPTK6MAP3K7CYP3A4CYP2C9
SCHEMBL30172065 0.88 TTK (0.41) TTKPTK6MAP3K7CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL28982207 0.86 PTK6 (0.36) TTKPTK6
SCHEMBL25173551 0.85 GPR119 (0.38) TTKPTK6
Trifluoroacetic Acid SCHEMBL30386113 0.84 PTK6 (0.39) PTK6BRAFEGFRAURKA
SCHEMBL25450726 0.82 PTK6 (0.38) TTKPTK6
SCHEMBL22124340 0.81 CDK2 (0.44) TTKPTK6AURKASYK

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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