SCHEMBL20140545

SCHEMBL20140545

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN1CCN(c2cccnc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.51
RPTOR Q8N122 10/20 0.51
MLST8 Q9BVC4 10/20 0.51
PARP1 P09874 1/20 0.46
GPR6 P46095 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
PKM P14618 1/20 0.41
TACR3 P29371 1/20 0.41

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
SCHEMBL20140417 1.00 MTOR (0.51) MTORRPTORMLST8PARP1GPR6
SCHEMBL20140828 0.92 MTOR (0.52) MTORRPTORMLST8GPR6KDM4E
SCHEMBL20140323 0.91 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156994 0.91 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140200 0.91 MTOR (0.59) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20139966 0.88 MTOR (0.61) MTORRPTORMLST8GPR6KDM4E
SCHEMBL20141547 0.88 MTOR (0.52) MTORRPTORMLST8GPR6KDM4E
SCHEMBL20140023 0.88 MTOR (0.61) MTORRPTORMLST8GPR6KDM4E
SCHEMBL20156824 0.88 MTOR (0.56) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20139928 0.88 MTOR (0.56) MTORRPTORMLST8KDM4EALDH1A1

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