SCHEMBL20141000

SCHEMBL20141000

N#Cc1ccccc1N1CCN(Cc2nc(C(=O)N3CCN(c4ccccc4C#N)CC3)c(Cl)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.52
RPTOR Q8N122 5/20 0.52
MLST8 Q9BVC4 5/20 0.52
TACR3 P29371 1/20 0.51
DRD4 P21917 4/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
ALDH1A1 P00352 1/20 0.44
PARP1 P09874 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 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
SCHEMBL20140837 0.90 DRD4 (0.48) MTORRPTORMLST8TACR3DRD4
SCHEMBL20140010 0.89 MTOR (0.44) MTORRPTORMLST8TACR3DRD2
SCHEMBL20141552 0.86 DRD4 (0.47) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140738 0.84 MTOR (0.54) MTORRPTORMLST8TACR3DRD4
SCHEMBL20141473 0.84 MTOR (0.50) MTORRPTORMLST8TACR3DRD4
SCHEMBL20140551 0.83 MTOR (0.52) MTORRPTORMLST8TACR3DRD4
SCHEMBL20140631 0.79 MTOR (0.56) MTORRPTORMLST8TACR3DRD4
SCHEMBL20142366 0.79 MTOR (0.46) MTORRPTORMLST8TACR3DRD4
SCHEMBL20140795 0.77 MTOR (0.58) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157125 0.77 MTOR (0.48) 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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed