SCHEMBL20156813

SCHEMBL20156813

Cc1cc(C)c(C(=O)N2CCN(c3c(C#N)ccc4cc[nH]c34)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.47
RPTOR Q8N122 8/20 0.47
MLST8 Q9BVC4 8/20 0.47
TACR3 P29371 1/20 0.42
DRD4 P21917 4/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
MAPK14 Q16539 3/20 0.39
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2B Q13224 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
Trifluoroacetic Acid SCHEMBL20140582 0.95 MTOR (0.45) MTORRPTORMLST8TACR3DRD4
SCHEMBL20156948 0.86 MTOR (0.51) MTORRPTORMLST8TACR3DRD4
SCHEMBL20140200 0.86 MTOR (0.59) MTORRPTORMLST8TACR3DRD4
SCHEMBL20156830 0.85 MTOR (0.51) MTORRPTORMLST8TACR3DRD4
SCHEMBL20156943 0.83 GAA (0.49) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139962 0.83 MTOR (0.55) MTORRPTORMLST8TACR3DRD4
SCHEMBL20156918 0.83 MTOR (0.55) MTORRPTORMLST8TACR3DRD4
SCHEMBL20141465 0.83 PARP1 (0.49) MTORRPTORMLST8TACR3DRD4
SCHEMBL20156824 0.82 MTOR (0.56) MTORRPTORMLST8TACR3DRD4
SCHEMBL20139928 0.82 MTOR (0.56) MTORRPTORMLST8TACR3DRD4

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