SCHEMBL20150126

SCHEMBL20150126

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.57
RPTOR Q8N122 9/20 0.57
MLST8 Q9BVC4 9/20 0.57
NAMPT P43490 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GRM5 P41594 1/20 0.35
DRD4 P21917 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TACR3 P29371 1/20 0.34
DPP4 P27487 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL20133736 0.87 MTOR (0.59) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL20149693 0.86 MTOR (0.63) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL20150237 0.85 MTOR (0.65) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL20133739 0.82 MTOR (0.78) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL22693277 0.81 MTOR (0.65) MTORRPTORMLST8TDP1ALDH1A1
SCHEMBL20150218 0.80 MTOR (0.74) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL20150300 0.79 MTOR (0.67) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20150181 0.79 MTOR (0.54) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL22693146 0.79 MTOR (0.73) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL21360383 0.79 MTOR (0.72) MTORRPTORMLST8NAMPTL3MBTL1

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