Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL25175361

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCC5CCOCC5)c(C)c4)nccn23)cc1F.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 18/20 0.48
▸ MAPKAPK5 Q8IW41 1/20 0.45
▸ AXL P30530 1/20 0.40

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
SCHEMBL30171640 0.97 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL22124284 0.97 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL22139112 0.88 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL24910493 0.88 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL30171555 0.88 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL22123500 0.84 MAPKAPK5 (0.49) TTKMAPKAPK5AXL
SCHEMBL24870705 0.84 TTK (0.48) TTKMAPKAPK5
SCHEMBL30172021 0.84 TTK (0.48) TTKMAPKAPK5
SCHEMBL22142950 0.84 MAPKAPK5 (0.47) TTKMAPKAPK5AXL
SCHEMBL30171796 0.84 MAPKAPK5 (0.47) TTKMAPKAPK5AXL

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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