SCHEMBL20149897

SCHEMBL20149897

Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)C(C)(C)C2)cc1NC1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.48
RPTOR Q8N122 4/20 0.48
MLST8 Q9BVC4 4/20 0.48
ALDH1A1 P00352 5/20 0.41
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SSTR4 P31391 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL20133669 0.86 MTOR (0.59) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20133664 0.73 MTOR (0.61) MTORRPTORMLST8SYK
SCHEMBL20150152 0.72 MTOR (0.67) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20141354 0.69 MTOR (0.68) MTORRPTORMLST8ALDH1A1SMN1; SMN2
SCHEMBL20133655 0.69 MTOR (0.68) MTORRPTORMLST8ALDH1A1SMN1; SMN2
SCHEMBL20133545 0.69 MTOR (0.68) MTORRPTORMLST8ALDH1A1SMN1; SMN2
SCHEMBL22693232 0.69 MTOR (0.47) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL22187867 0.68 MTOR (0.60) MTORRPTORMLST8SYK
SCHEMBL20141160 0.68 MTOR (0.51) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL21360293 0.68 MTOR (0.81) MTORRPTORMLST8ALDH1A1

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