SCHEMBL20142302

SCHEMBL20142302

Cc1ccc(C(=O)N2CCN(c3cccnc3S(N)(=O)=O)CC2)c(C)c1N(c1ccccc1C#N)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.55
RPTOR Q8N122 7/20 0.55
MLST8 Q9BVC4 7/20 0.55
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.36
HDAC2 Q92769 1/20 0.36
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL20141210 0.91 MTOR (0.65) MTORRPTORMLST8TP53LMNA
SCHEMBL20140929 0.89 MTOR (0.57) MTORRPTORMLST8TP53LMNA
SCHEMBL20140935 0.81 MTOR (0.53) MTORRPTORMLST8HDAC2CA12
SCHEMBL20140932 0.79 MTOR (0.56) MTORRPTORMLST8HDAC2CA12
SCHEMBL20133763 0.79 MTOR (0.80) MTORRPTORMLST8CA12CA1
SCHEMBL20140851 0.78 MTOR (0.44) MTORRPTORMLST8TP53LMNA
SCHEMBL20140814 0.77 MTOR (0.45) MTORRPTORMLST8TP53LMNA
SCHEMBL20141169 0.76 MTOR (0.45) MTORRPTORMLST8LMNACA12
SCHEMBL20140990 0.76 MTOR (0.39) MTORRPTORMLST8CA12CA1
SCHEMBL20141403 0.76 MTOR (0.43) MTORRPTORMLST8LMNAMAPT

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