SCHEMBL20140767

SCHEMBL20140767

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)C(=O)C2)cc1CN1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.54
RPTOR Q8N122 6/20 0.54
MLST8 Q9BVC4 6/20 0.54
P2RX7 Q99572 9/20 0.45
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
ENPP2 Q13822 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
SCHEMBL20140023 0.91 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20139966 0.91 MTOR (0.61) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20141373 0.89 MTOR (0.49) MTORRPTORMLST8P2RX7DRD2
SCHEMBL20140751 0.87 MTOR (0.60) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20141516 0.86 MTOR (0.46) MTORRPTORMLST8P2RX7KDM4E
SCHEMBL20140818 0.85 P2RX7 (0.46) MTORRPTORMLST8P2RX7DRD2
SCHEMBL20140323 0.84 KDM4E (0.54) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20156994 0.84 KDM4E (0.54) MTORRPTORMLST8DRD2HTR2A
SCHEMBL20139945 0.84 MTOR (0.49) MTORRPTORMLST8P2RX7DRD2
SCHEMBL20139928 0.82 MTOR (0.56) MTORRPTORMLST8DRD2HTR2A

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