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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28979024

O=C(O)C(F)(F)F.OC12CC3CC(C1)C(Nc1nc(Nc4cc(C5CC5)[nH]n4)cc4ncccc14)C(C3)C2

nearest known ligand 0.44

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Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 15/20 0.44
▸ JAK3 P52333 15/20 0.44
▸ JAK2 O60674 12/20 0.44
▸ JAK1 P23458 12/20 0.44
▸ P2RX3 P56373 1/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.41
▸ SRC P12931 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL30340315 0.93 TYK2 (0.45) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24170321 0.93 TYK2 (0.45) TYK2JAK3JAK2JAK1P2RX3
Trifluoroacetic Acid SCHEMBL28978706 0.90 JAK3 (0.54) TYK2JAK3JAK2JAK1P2RX3
Trifluoroacetic Acid SCHEMBL28979026 0.86 JAK3 (0.40) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24175067 0.84 TYK2 (0.44) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL30340351 0.84 TYK2 (0.44) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24170331 0.82 JAK3 (0.56) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24175542 0.82 JAK3 (0.56) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL30340362 0.82 JAK3 (0.56) TYK2JAK3JAK2JAK1P2RX3
SCHEMBL24170322 0.81 TYK2 (0.47) TYK2JAK3JAK2JAK1P2RX3

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
CN-115916747-A Fused heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2023-04-04 — — CN disclosed
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