SCHEMBL20156943

SCHEMBL20156943

Cc1cc(C)c(C(=O)N2CCN(c3cccc4[nH]ccc34)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
MAPT P10636 3/20 0.49
MTOR P42345 4/20 0.49
RPTOR Q8N122 4/20 0.49
MLST8 Q9BVC4 4/20 0.49
MAPK14 Q16539 1/20 0.48
RECQL P46063 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
GOT1 P17174 5/20 0.47
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL20140200 0.89 MTOR (0.59) MTORRPTORMLST8DRD2DRD4
SCHEMBL20142001 0.88 MTOR (0.47) GAAMAPTMTORRPTORMLST8
SCHEMBL20142004 0.88 MTOR (0.47) GAAMAPTMTORRPTORMLST8
SCHEMBL20156948 0.87 MTOR (0.51) MAPTMTORRPTORMLST8MAPK14
SCHEMBL20156830 0.87 MTOR (0.51) MTORRPTORMLST8MAPK14DRD2
SCHEMBL20139962 0.85 MTOR (0.55) MTORRPTORMLST8DRD2DRD4
SCHEMBL20156918 0.85 MTOR (0.55) MTORRPTORMLST8DRD2DRD4
SCHEMBL20141465 0.85 PARP1 (0.49) MTORRPTORMLST8DRD2DRD4
SCHEMBL20140235 0.84 MTOR (0.67) MAPTMTORRPTORMLST8DRD2
SCHEMBL20140824 0.84 MTOR (0.67) MAPTMTORRPTORMLST8DRD2

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