SCHEMBL20140587

SCHEMBL20140587

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.54
RPTOR Q8N122 2/20 0.54
MLST8 Q9BVC4 2/20 0.54
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PARP1 P09874 1/20 0.47
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL20140044 0.92 MTOR (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20142065 0.87 KDM4E (0.51) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20139934 0.87 PPARG (0.47) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156931 0.87 MTOR (0.51) MTORRPTORMLST8USP2SMN1; SMN2
SCHEMBL20140785 0.87 PARP1 (0.47) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20139930 0.87 MTOR (0.53) MTORRPTORMLST8USP2MAPK1
SCHEMBL20140716 0.87 MTOR (0.53) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140693 0.84 HCRTR1 (0.49) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20139909 0.84 LMNA (0.52) MTORRPTORMLST8MAPK1SMN1; SMN2
SCHEMBL20141182 0.84 PARP1 (0.48) MTORRPTORMLST8SMN1; SMN2PARP1

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