SCHEMBL20141676

SCHEMBL20141676

COC(=O)c1cc(NC2CCN(c3ccccc3C#N)CC2)c(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.49
RPTOR Q8N122 6/20 0.49
MLST8 Q9BVC4 6/20 0.49
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
GRM5 P41594 1/20 0.39
CHRM4 P08173 1/20 0.38
MC4R P32245 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
THRB P10828 1/20 0.38
PGR P06401 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL20133852 0.89 MTOR (0.49) MTORRPTORMLST8DRD3DRD2
SCHEMBL20129666 0.85 MTOR (0.62) MTORRPTORMLST8CHEK1CHEK2
SCHEMBL20133548 0.85 MTOR (0.56) MTORRPTORMLST8CHEK1CHEK2
SCHEMBL20133693 0.83 MTOR (0.54) MTORRPTORMLST8CHEK1CHEK2
SCHEMBL20133701 0.83 MTOR (0.61) MTORRPTORMLST8DRD3DRD2
SCHEMBL20129693 0.82 MTOR (0.61) MTORRPTORMLST8KDM4EKMT2A
SCHEMBL20141296 0.82 MTOR (0.53) MTORRPTORMLST8CHEK1CHEK2
SCHEMBL20133723 0.80 MTOR (0.55) MTORRPTORMLST8DRD3DRD2
SCHEMBL20149888 0.80 MTOR (0.51) MTORRPTORMLST8DRD3DRD2
SCHEMBL20133856 0.79 MTOR (0.56) MTORRPTORMLST8CHEK1CHEK2

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