SCHEMBL20157080

SCHEMBL20157080

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(F)cc3C#N)CC2)cc1SN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.51
RPTOR Q8N122 6/20 0.51
MLST8 Q9BVC4 6/20 0.51
DPP4 P27487 1/20 0.44
PARP1 P09874 1/20 0.44
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.40
USP2 O75604 1/20 0.39
TACR3 P29371 1/20 0.39
GRM5 P41594 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 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
SCHEMBL20157344 0.94 MTOR (0.50) MTORRPTORMLST8DPP4PARP1
SCHEMBL20156950 0.92 MTOR (0.51) MTORRPTORMLST8DPP4TSHR
SCHEMBL20157253 0.86 MTOR (0.46) MTORRPTORMLST8DPP4PARP1
SCHEMBL20157143 0.84 MTOR (0.45) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141003 0.82 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140926 0.82 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20157088 0.80 MTOR (0.49) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141464 0.79 MTOR (0.56) MTORRPTORMLST8TSHRLMNA
SCHEMBL20156834 0.77 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20156949 0.77 MTOR (0.54) MTORRPTORMLST8TSHRLMNA

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