SCHEMBL20141649

SCHEMBL20141649

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCn2cc(-c3ccccc3)nc2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
MTOR P42345 2/20 0.43
RPTOR Q8N122 2/20 0.43
MLST8 Q9BVC4 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.41
TACR3 P29371 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
ACACB O00763 1/20 0.41
PARP1 P09874 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
HIF1A Q16665 1/20 0.39
BCHE P06276 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
SCHEMBL20140044 0.84 MTOR (0.54) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20141539 0.81 PARP1 (0.46) MTORRPTORMLST8HTTPARP1
SCHEMBL20140693 0.80 HCRTR1 (0.49) MTORRPTORMLST8HTTPARP1
SCHEMBL20156931 0.80 MTOR (0.51) MTORRPTORMLST8TACR3DRD2
SCHEMBL20157539 0.79 MTOR (0.46) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20139955 0.78 KDM4E (0.52) MTORRPTORMLST8HTR1ADRD2
SCHEMBL20140600 0.78 KDM4E (0.54) MTORRPTORMLST8HTR1ADRD2
SCHEMBL20156809 0.78 MTOR (0.45) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20140883 0.78 SIGMAR1 (0.44) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20157021 0.78 SLC6A7 (0.46) 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