SCHEMBL20141041

SCHEMBL20141041

Cc1cc(Br)c(NC2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.62
RPTOR Q8N122 8/20 0.62
MLST8 Q9BVC4 8/20 0.62
DRD4 P21917 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
NAMPT P43490 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 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
SCHEMBL20133549 0.95 MTOR (0.64) MTORRPTORMLST8DRD4TDP1
SCHEMBL21360359 0.93 MTOR (0.71) MTORRPTORMLST8DRD4TDP1
SCHEMBL20133670 0.92 MTOR (0.69) MTORRPTORMLST8CA12CA1
SCHEMBL20133556 0.90 MTOR (0.61) MTORRPTORMLST8CA12CA1
SCHEMBL20133552 0.89 MTOR (0.66) MTORRPTORMLST8DRD4TDP1
SCHEMBL20133736 0.89 MTOR (0.59) MTORRPTORMLST8DRD4TDP1
SCHEMBL20133718 0.88 MTOR (0.68) MTORRPTORMLST8CA12CA1
SCHEMBL20133707 0.87 MTOR (0.60) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20129696 0.87 MTOR (0.59) MTORRPTORMLST8DRD4TDP1
SCHEMBL20133543 0.87 MTOR (0.62) MTORRPTORMLST8DRD4TDP1

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