Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20140494

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)nc1CN1CCN(c2ccccc2C#N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
MTOR P42345 8/20 0.45
RPTOR Q8N122 8/20 0.45
MLST8 Q9BVC4 8/20 0.45
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
RET P07949 5/20 0.39
SLC27A1 Q6PCB7 1/20 0.39
PARP1 P09874 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PRKAA2 P54646 1/20 0.38

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
SCHEMBL20157126 0.96 MTOR (0.48) PPARGMTORRPTORMLST8DRD2
SCHEMBL20140738 0.85 MTOR (0.54) MTORRPTORMLST8DRD2DRD3
SCHEMBL20140622 0.85 MTOR (0.43) MTORRPTORMLST8DRD2DRD3
SCHEMBL20140010 0.84 MTOR (0.44) MTORRPTORMLST8DRD2DRD3
SCHEMBL20157125 0.82 MTOR (0.48) MTORRPTORMLST8DRD2DRD3
SCHEMBL20156964 0.81 MTOR (0.49) PPARGMTORRPTORMLST8DRD2
SCHEMBL20140576 0.80 MTOR (0.48) MTORRPTORMLST8DRD2DRD3
SCHEMBL20140795 0.80 MTOR (0.58) MTORRPTORMLST8DRD2PARP1
SCHEMBL20139934 0.80 PPARG (0.47) PPARGMTORRPTORMLST8RET
SCHEMBL20140388 0.79 MTOR (0.47) PPARGMTORRPTORMLST8DRD2

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed