SCHEMBL20139883

SCHEMBL20139883

N#Cc1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)c(F)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.54
RPTOR Q8N122 3/20 0.54
MLST8 Q9BVC4 3/20 0.54
PARP1 P09874 4/20 0.53
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DRD2 P14416 5/20 0.48
DPP4 P27487 1/20 0.47
HTR2A P28223 4/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
HDAC2 Q92769 1/20 0.46
TNKS O95271 1/20 0.46
PARP6 Q2NL67 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP3 Q9Y6F1 1/20 0.46
DRD4 P21917 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
SCHEMBL20156981 0.92 MTOR (0.58) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20139960 0.91 MTOR (0.56) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20157369 0.87 MTOR (0.46) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140323 0.86 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156994 0.86 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140642 0.85 MTOR (0.51) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140146 0.85 KDM4E (0.53) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20141355 0.83 PARP1 (0.50) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20141188 0.82 MTOR (0.56) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140601 0.81 DPP4 (0.52) MTORRPTORMLST8KDM4EALDH1A1

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