SCHEMBL20157356

SCHEMBL20157356

Cc1cc(C)c(C(=O)N2CCn3c(cc4cc(-c5ccc(N6CCN(C(=O)c7cc([C@@H](C)N8CCN(c9ccccc9C#N)CC8)c(C)cc7C)CC6)c(C#N)c5)ccc43)C2)cc1CN1CCCN(c2ccccc2C#N)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.37
RPTOR Q8N122 6/20 0.37
MLST8 Q9BVC4 6/20 0.37
GRIN2B Q13224 4/20 0.36
SIGMAR1 Q99720 5/20 0.33
CTSS P25774 1/20 0.32
TACR3 P29371 1/20 0.32

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
SCHEMBL20142524 0.84 MTOR (0.44) MTORRPTORMLST8GRIN2BSIGMAR1
SCHEMBL20140766 0.79 MTOR (0.46) MTORRPTORMLST8SIGMAR1
SCHEMBL20139962 0.77 MTOR (0.55) MTORRPTORMLST8GRIN2BTACR3
SCHEMBL20157087 0.76 MTOR (0.50) MTORRPTORMLST8TACR3
SCHEMBL20157079 0.76 MTOR (0.50) MTORRPTORMLST8TACR3
SCHEMBL20157176 0.76 MTOR (0.50) MTORRPTORMLST8TACR3
SCHEMBL20140200 0.75 MTOR (0.59) MTORRPTORMLST8TACR3
SCHEMBL20140246 0.72 MTOR (0.57) MTORRPTORMLST8
SCHEMBL20140719 0.72 MTOR (0.57) MTORRPTORMLST8
SCHEMBL20140883 0.72 SIGMAR1 (0.44) MTORRPTORMLST8SIGMAR1

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed