SCHEMBL20141739

SCHEMBL20141739

Cc1cc(C)c(C(=O)N2CCN(c3ncccc3[S@@](C)(=O)=NC(=O)OC(C)(C)C)CC2)cc1NC1CCN(c2ccc(C#N)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.47
RPTOR Q8N122 6/20 0.47
MLST8 Q9BVC4 6/20 0.47
PRKAA2 P54646 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
JAK3 P52333 1/20 0.40
FASN P49327 7/20 0.38
SLC6A9 P48067 2/20 0.38
KCNH2 Q12809 2/20 0.38
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
EGLN2 Q96KS0 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
SCHEMBL20133534 0.90 MTOR (0.60) MTORRPTORMLST8
SCHEMBL20141237 0.90 MTOR (0.60) MTORRPTORMLST8
SCHEMBL20129599 0.81 MTOR (0.66) MTORRPTORMLST8SLC6A9KCNH2
SCHEMBL22693183 0.79 MTOR (0.67) MTORRPTORMLST8FASN
SCHEMBL20141051 0.79 MTOR (0.70) MTORRPTORMLST8FASN
SCHEMBL21360393 0.79 MTOR (0.70) MTORRPTORMLST8FASN
SCHEMBL20133535 0.79 MTOR (0.70) MTORRPTORMLST8FASN
SCHEMBL21360324 0.77 MTOR (0.76) MTORRPTORMLST8FASN
SCHEMBL20141480 0.75 MTOR (0.78) MTORRPTORMLST8SLC6A9KCNH2
SCHEMBL22188088 0.75 MTOR (0.56) MTORRPTORMLST8KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed