SCHEMBL20149693

SCHEMBL20149693

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3SN)CC2)cc1NC1CCN(c2ccccc2C#N)C1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.63
RPTOR Q8N122 10/20 0.63
MLST8 Q9BVC4 10/20 0.63
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DPP4 P27487 1/20 0.38
GRM5 P41594 1/20 0.37
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
FASN P49327 1/20 0.36
PARP1 P09874 1/20 0.36
TACR3 P29371 1/20 0.36

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
SCHEMBL20150237 0.89 MTOR (0.65) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20133739 0.88 MTOR (0.78) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20150181 0.87 MTOR (0.54) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL22693277 0.87 MTOR (0.65) MTORRPTORMLST8ALDH1A1TDP1
SCHEMBL20150126 0.86 MTOR (0.57) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20133552 0.86 MTOR (0.66) MTORRPTORMLST8NAMPTTDP1
SCHEMBL20150218 0.85 MTOR (0.74) MTORRPTORMLST8NAMPTTDP1
SCHEMBL20150300 0.84 MTOR (0.67) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL22693146 0.84 MTOR (0.73) MTORRPTORMLST8NAMPTTDP1
SCHEMBL21360383 0.84 MTOR (0.72) MTORRPTORMLST8NAMPTALDH1A1

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed