Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4384449

C1CCC(N2CCNCC2)C1.CNc1nc(N)nc2nc(-c3c(N4CCN(C5CCCC5)CC4)cccc3C(F)(F)F)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 0.66
PRKCA P17252 1/20 0.34
FLT3 P36888 1/20 0.34
HTR2B P41595 1/20 0.34
GSK3B P49841 1/20 0.34
PRKCQ Q04759 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL3738823 0.96 PTPN1 (0.72) PTPN1
Trifluoroacetic Acid SCHEMBL3739138 0.95 PTPN1 (0.72) PTPN1
SCHEMBL13040945 0.90 PTPN1 (0.80) PTPN1
SCHEMBL4389723 0.90 PTPN1 (0.80) PTPN1
Trifluoroacetic Acid SCHEMBL3727506 0.85 PTPN1 (0.73) PTPN1
Trifluoroacetic Acid SCHEMBL3729135 0.85 PTPN1 (0.76) PTPN1
Trifluoroacetic Acid SCHEMBL3742933 0.84 PTPN1 (0.75) PTPN1
Trifluoroacetic Acid SCHEMBL3728964 0.83 PTPN1 (0.72) PTPN1
Trifluoroacetic Acid SCHEMBL3737675 0.83 PTPN1 (0.72) PTPN1
Trifluoroacetic Acid SCHEMBL3734678 0.83 PTPN1 (0.88) PTPN1

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-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed