Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5793233

CCCN1CCN(c2ccc(C(=O)NN(CC(C)(C)C)c3ccnc(C#N)n3)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
CTSB P07858 2/20 0.40
CTSD P07339 1/20 0.40
HRH4 Q9H3N8 3/20 0.38
HRH3 Q9Y5N1 3/20 0.38
SLC2A1 P11166 1/20 0.36
GPR4 P46093 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL8270735 0.95 CTSK (0.43) CTSKCTSLCTSSCTSBCTSD
SCHEMBL5791397 0.87 CTSK (0.48) CTSKCTSLCTSSCTSBJAK2
SCHEMBL8270035 0.86 CTSK (0.51) CTSKCTSLCTSSCTSBGPR4
Trifluoroacetic Acid SCHEMBL3317688 0.84 CTSK (0.54) CTSKCTSLCTSSCTSBHRH4
Trifluoroacetic Acid SCHEMBL5795046 0.83 HRH4 (0.41) CTSKCTSLCTSSCTSBCTSD
Trifluoroacetic Acid SCHEMBL5794393 0.82 CTSK (0.44) CTSKCTSLCTSSCTSBJAK2
Trifluoroacetic Acid SCHEMBL5791240 0.81 CTSK (0.57) CTSKCTSLCTSSCTSBSLC2A1
SCHEMBL8243085 0.80 CTSK (0.56) CTSKCTSLCTSSCTSBCTSD
SCHEMBL5500170 0.79 CTSK (0.58) CTSKCTSLCTSSCTSBGPR4
SCHEMBL5791503 0.78 CTSK (0.47) CTSKCTSLCTSSCTSBGPR4

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
WO-2006027211-A1 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-03-16 WO claimed