SCHEMBL20149877

SCHEMBL20149877

C=C(c1cc(NC2CCN(c3ccccc3)CC2)c(C)cc1C)N1CCN(c2cncc3cn[nH]c23)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.53
RPTOR Q8N122 5/20 0.53
MLST8 Q9BVC4 5/20 0.53
CALCA P06881 3/20 0.37
TRPV1 Q8NER1 2/20 0.34
PAK1 Q13153 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
JAK1 P23458 1/20 0.33
POLB P06746 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
PHGDH O43175 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20133638 0.80 MTOR (0.77) MTORRPTORMLST8CALCATRPV1
SCHEMBL20133811 0.73 MTOR (0.41) MTORRPTORMLST8MEN1KMT2A
SCHEMBL22187996 0.70 MTOR (0.65) MTORRPTORMLST8CALCATRPV1
SCHEMBL20141082 0.70 MTOR (0.45) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20149922 0.69 MTOR (0.56) MTORRPTORMLST8ALDH1A1PHGDH
SCHEMBL20141600 0.68 MAPT (0.49) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20149902 0.67 MTOR (0.72) MTORRPTORMLST8MEN1KMT2A
SCHEMBL21360385 0.67 MTOR (0.72) MTORRPTORMLST8MEN1KMT2A
SCHEMBL21360325 0.65 MTOR (0.68) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20141200 0.65 MTOR (0.68) MTORRPTORMLST8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed