SCHEMBL20140097

SCHEMBL20140097

Cc1nc(C)c(C(=O)N2CCN(c3cc(F)c(C#N)cc3F)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.51
RPTOR Q8N122 6/20 0.51
MLST8 Q9BVC4 6/20 0.51
PARP1 P09874 1/20 0.46
TP53 P04637 2/20 0.44
DPP4 P27487 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TACR3 P29371 1/20 0.41
THRB P10828 1/20 0.41
DRD4 P21917 3/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
PHGDH O43175 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL20139973 0.92 MTOR (0.57) MTORRPTORMLST8PARP1TP53
SCHEMBL20140642 0.87 MTOR (0.51) MTORRPTORMLST8PARP1DPP4
SCHEMBL20140388 0.85 MTOR (0.47) MTORRPTORMLST8PARP1TP53
SCHEMBL20140146 0.84 KDM4E (0.53) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140641 0.84 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140083 0.83 MTOR (0.49) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20141188 0.82 MTOR (0.56) MTORRPTORMLST8PARP1DPP4
SCHEMBL20140926 0.81 MTOR (0.54) MTORRPTORMLST8PARP1DPP4
SCHEMBL20141003 0.81 MTOR (0.54) MTORRPTORMLST8PARP1DPP4
SCHEMBL20157125 0.81 MTOR (0.48) MTORRPTORMLST8PARP1DPP4

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