SCHEMBL20141357

SCHEMBL20141357

Cc1csc(N2CCN(C(=O)c3cc(CN4CCN(c5ncccc5Cl)CC4)ccc3C)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.43
RPTOR Q8N122 1/20 0.43
MLST8 Q9BVC4 1/20 0.43
CHRM4 P08173 1/20 0.42
PHGDH O43175 1/20 0.42
WNK1 Q9H4A3 3/20 0.42
AURKA O14965 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL20140812 0.84 ALDH1A1 (0.56) CHRM4MEN1MAPTKMT2A
SCHEMBL20141948 0.83 SMN1; SMN2 (0.51) MEN1MAPTKMT2ATRPA1
SCHEMBL20141688 0.82 MTOR (0.48) MTORRPTORMLST8MAPTKMT2A
SCHEMBL20141811 0.82 PPARG (0.46) MTORRPTORMLST8CHRM4PHGDH
SCHEMBL20140645 0.82 PPARG (0.49) MTORRPTORMLST8CHRM4WNK1
SCHEMBL20140429 0.81 MTOR (0.48) MTORRPTORMLST8CHRM4MEN1
SCHEMBL20157304 0.81 MTOR (0.47) MTORRPTORMLST8CHRM4
SCHEMBL20140664 0.80 MTOR (0.57) MTORRPTORMLST8CHRM4
SCHEMBL20141929 0.80 PPARG (0.47) MTORRPTORMLST8CHRM4MEN1
SCHEMBL20156809 0.79 MTOR (0.45) MTORRPTORMLST8PHGDHMEN1

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