SCHEMBL20156883

SCHEMBL20156883

Cc1nc(C)c(C(=O)N2CCN(/C(N)=C(C#N)/C=C\N)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.46
RPTOR Q8N122 6/20 0.46
MLST8 Q9BVC4 6/20 0.46
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
GMNN O75496 1/20 0.40
THRB P10828 1/20 0.40
PMP22 Q01453 1/20 0.40
HTR7 P34969 1/20 0.40
CFTR P13569 1/20 0.38
TACR3 P29371 1/20 0.38
PARP1 P09874 1/20 0.38
DRD4 P21917 3/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 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
SCHEMBL20139973 0.88 MTOR (0.57) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140146 0.82 KDM4E (0.53) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140083 0.81 MTOR (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140097 0.80 MTOR (0.51) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140641 0.80 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140388 0.78 MTOR (0.47) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140723 0.75 P2RY12 (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140073 0.75 TACR3 (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140200 0.75 MTOR (0.59) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141582 0.73 MTOR (0.53) 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 1 patent. 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