Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8085100

O=C(O)C(F)(F)F.O=C(O)c1ccc(-c2cccc(Nc3ncccn3)c2)cc1

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.71
MAPK8 P45983 2/20 0.65
PIK3CG P48736 2/20 0.65
GSK3B P49841 2/20 0.65
CAMKK2 Q96RR4 2/20 0.65
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CAMK2D Q13557 1/20 0.52
AURKA O14965 1/20 0.52

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
SCHEMBL15570607 0.83 SYK (1.00) SYK
SCHEMBL8085104 0.82 SYK (0.55) SYKMAPK8PIK3CGGSK3BCAMKK2
Trifluoroacetic Acid SCHEMBL7431773 0.76 AURKA (0.56) SYKMAPK8PIK3CGGSK3BCAMKK2
SCHEMBL28762614 0.75 SYK (0.67) SYKMAPK8PIK3CGGSK3BCAMKK2
Trifluoroacetic Acid SCHEMBL7431770 0.75 AURKA (0.46) SYKMAPK8PIK3CGGSK3BCAMKK2
SCHEMBL19347444 0.75 SYK (1.00) SYK
SCHEMBL2248377 0.74 AURKA (0.68) GSK3BCAMK2DAURKA
Trifluoroacetic Acid SCHEMBL6620503 0.74 EGFR (0.58)
SCHEMBL19347497 0.73 SYK (1.00) SYKMAPK8PIK3CGGSK3BCAMKK2
SCHEMBL19347511 0.73 SYK (1.00) SYK

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
US-6040311-A TREATING BONE DISORDERS FOR PREVENTING OSTEOPOROSIS OR INHIBITING BONE RESORPTION IN A MAMMAL; TREATING TUMOR GROWTH IN A MAMMAL MERCK & CO., INC. (US) 2000-03-21 US disclosed