SCHEMBL20139982

SCHEMBL20139982

N#Cc1ccccc1N1CCN(Cc2c(Cl)ccc(C(=O)N3CCN(c4ccccc4C#N)CC3)c2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.50
RPTOR Q8N122 3/20 0.50
MLST8 Q9BVC4 3/20 0.50
TACR3 P29371 1/20 0.48
DRD2 P14416 5/20 0.48
DRD4 P21917 4/20 0.48
DRD3 P35462 3/20 0.48
HTR2A P28223 1/20 0.44
GRM5 P41594 1/20 0.44
NAMPT P43490 1/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTR7 P34969 1/20 0.43
PARP1 P09874 1/20 0.43
RORC P51449 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
SCHEMBL20140021 0.88 PRKAA2 (0.42) MTORRPTORMLST8TACR3DRD2
SCHEMBL20140739 0.82 PARP1 (0.51) MTORRPTORMLST8TACR3DRD2
SCHEMBL20140631 0.82 MTOR (0.56) MTORRPTORMLST8TACR3DRD2
SCHEMBL20139928 0.78 MTOR (0.56) MTORRPTORMLST8TACR3DRD2
SCHEMBL20156931 0.78 MTOR (0.51) MTORRPTORMLST8TACR3DRD2
SCHEMBL20156824 0.78 MTOR (0.56) MTORRPTORMLST8TACR3DRD2
SCHEMBL20139960 0.77 MTOR (0.56) MTORRPTORMLST8TACR3DRD2
SCHEMBL20157185 0.77 KDM4E (0.43) MTORRPTORMLST8RORC
SCHEMBL20141000 0.76 MTOR (0.52) MTORRPTORMLST8TACR3DRD2
SCHEMBL20140044 0.75 MTOR (0.54) MTORRPTORMLST8TACR3DRD2

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