SCHEMBL20156834

SCHEMBL20156834

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(F)cc3C#N)CC2)cc1CN1C2CCC1CN(c1ccccc1C#N)C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.54
RPTOR Q8N122 11/20 0.54
MLST8 Q9BVC4 11/20 0.54
DPP4 P27487 1/20 0.42
PARP1 P09874 1/20 0.42
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HSD11B1 P28845 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL20141003 0.87 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140926 0.87 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141742 0.87 MTOR (0.47) MTORRPTORMLST8DPP4JAK2
SCHEMBL20140996 0.87 MTOR (0.44) MTORRPTORMLST8DPP4PARP1
SCHEMBL20156789 0.87 MTOR (0.49) MTORRPTORMLST8DPP4PARP1
Trifluoroacetic Acid SCHEMBL20140080 0.84 MTOR (0.42) MTORRPTORMLST8DPP4
SCHEMBL20156791 0.84 MTOR (0.52) MTORRPTORMLST8JAK2JAK1
SCHEMBL20139904 0.83 MTOR (0.48) MTORRPTORMLST8DPP4PARP1
SCHEMBL20157088 0.82 MTOR (0.49) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140350 0.82 MTOR (0.54) MTORRPTORMLST8PARP1TSHR

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