SCHEMBL20150181

SCHEMBL20150181

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3SN)CC2)cc1NC1CCN(c2ccccc2C#N)CC1(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 11/20 0.54
RPTOR Q8N122 11/20 0.54
MLST8 Q9BVC4 11/20 0.54
ALDH1A1 P00352 1/20 0.39
NAMPT P43490 1/20 0.39
GRM5 P41594 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FASN P49327 2/20 0.36
DPP4 P27487 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL20149693 0.87 MTOR (0.63) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20133651 0.87 MTOR (0.57) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20129600 0.83 MTOR (0.49) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20129604 0.82 MTOR (0.47) MTORRPTORMLST8ALDH1A1GRM5
SCHEMBL20150237 0.81 MTOR (0.65) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20133739 0.80 MTOR (0.78) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL22693277 0.79 MTOR (0.65) MTORRPTORMLST8ALDH1A1TDP1
SCHEMBL20150126 0.79 MTOR (0.57) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20157190 0.78 GRM1 (0.47) MTORRPTORMLST8ALDH1A1NAMPT
SCHEMBL20157253 0.78 MTOR (0.46) MTORRPTORMLST8ALDH1A1NAMPT

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