SCHEMBL20150237

SCHEMBL20150237

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.65
RPTOR Q8N122 8/20 0.65
MLST8 Q9BVC4 8/20 0.65
DPP4 P27487 1/20 0.43
PARP1 P09874 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NAMPT P43490 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PANK3 Q9H999 1/20 0.37
GRM5 P41594 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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 0.89 MTOR (0.63) MTORRPTORMLST8DPP4PARP1
SCHEMBL20133718 0.86 MTOR (0.68) MTORRPTORMLST8DPP4PARP1
SCHEMBL20150300 0.86 MTOR (0.67) MTORRPTORMLST8DPP4PARP1
SCHEMBL20150126 0.85 MTOR (0.57) MTORRPTORMLST8DPP4PARP1
SCHEMBL20133739 0.84 MTOR (0.78) MTORRPTORMLST8DPP4LMNA
SCHEMBL22693277 0.83 MTOR (0.65) MTORRPTORMLST8ALDH1A1TDP1
SCHEMBL20129691 0.83 MTOR (0.63) MTORRPTORMLST8DPP4LMNA
SCHEMBL20129693 0.82 MTOR (0.61) MTORRPTORMLST8DPP4LMNA
SCHEMBL20150218 0.82 MTOR (0.74) MTORRPTORMLST8LMNANAMPT
SCHEMBL20150181 0.81 MTOR (0.54) MTORRPTORMLST8DPP4ALDH1A1

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