SCHEMBL20140096

SCHEMBL20140096

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2=O)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
MTOR P42345 3/20 0.43
RPTOR Q8N122 3/20 0.43
MLST8 Q9BVC4 3/20 0.43
CYP46A1 Q9Y6A2 1/20 0.42
NAMPT P43490 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
DRD4 P21917 3/20 0.40
TACR3 P29371 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CLK1 P49759 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PHGDH O43175 1/20 0.39

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
SCHEMBL20157255 0.90 MTOR (0.40) PARP1MTORRPTORMLST8CYP46A1
SCHEMBL20140648 0.89 PRMT5 (0.42) MTORRPTORMLST8CYP46A1PRMT5
SCHEMBL20140725 0.87 MTOR (0.47) PARP1MTORRPTORMLST8NAMPT
SCHEMBL20140733 0.87 KDM4E (0.48) PRMT5WDR77DRD4KDM4EALDH1A1
SCHEMBL20140044 0.86 MTOR (0.54) PARP1MTORRPTORMLST8DRD4
SCHEMBL20139967 0.83 NAMPT (0.48) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL20156931 0.82 MTOR (0.51) PARP1MTORRPTORMLST8L3MBTL1
SCHEMBL20140693 0.79 HCRTR1 (0.49) PARP1MTORRPTORMLST8KDM4E
SCHEMBL20140587 0.79 MTOR (0.54) PARP1MTORRPTORMLST8KDM4E
SCHEMBL20139909 0.79 LMNA (0.52) PARP1MTORRPTORMLST8DRD4

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