SCHEMBL20140083

SCHEMBL20140083

Cc1nc(C)c(C(=O)N2CCN(c3nnccc3C#N)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.49
RPTOR Q8N122 6/20 0.49
MLST8 Q9BVC4 6/20 0.49
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
CFTR P13569 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TACR3 P29371 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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 0.90 MTOR (0.57) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140146 0.90 KDM4E (0.53) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139852 0.89 MTOR (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141859 0.89 MTOR (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20159127 0.84 MTOR (0.62) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140097 0.83 MTOR (0.51) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140641 0.83 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20157127 0.82 MTOR (0.49) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20156883 0.81 MTOR (0.46) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140388 0.80 MTOR (0.47) MTORRPTORMLST8DRD2DRD3

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