SCHEMBL20141098

SCHEMBL20141098

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.71
RPTOR Q8N122 5/20 0.71
MLST8 Q9BVC4 5/20 0.71
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 4/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 2/20 0.39
DRD2 P14416 2/20 0.38
HTR1A P08908 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL20157118 0.89 MTOR (0.76) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140044 0.84 MTOR (0.54) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20157290 0.84 MTOR (0.50) MTORRPTORMLST8ALDH1A1TSHR
SCHEMBL20159126 0.83 MTOR (1.00) MTORRPTORMLST8ALDH1A1LMNA
SCHEMBL20140693 0.81 HCRTR1 (0.49) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20156931 0.80 MTOR (0.51) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20157066 0.80 MTOR (0.46) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20157539 0.79 MTOR (0.46) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20139924 0.79 MTOR (0.61) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140600 0.78 KDM4E (0.54) MTORRPTORMLST8PARP1ALDH1A1

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