SCHEMBL20141581

SCHEMBL20141581

Cc1ccc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c(C)c1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.48
PDK2 Q15119 1/20 0.44
MTOR P42345 2/20 0.43
RPTOR Q8N122 2/20 0.43
MLST8 Q9BVC4 2/20 0.43
TACR3 P29371 3/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 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
SCHEMBL20141866 0.86 MTOR (0.48) P2RX7PDK2MTORRPTORMLST8
SCHEMBL20157059 0.81 DRD4 (0.50) MTORRPTORMLST8DRD2DRD4
SCHEMBL20140606 0.81 MTOR (0.44) MTORRPTORMLST8TACR3DRD2
SCHEMBL20157060 0.79 DRD4 (0.43) MTORRPTORMLST8TACR3DRD2
SCHEMBL20141863 0.73 MTOR (0.53) MTORRPTORMLST8TACR3DRD2
SCHEMBL20141649 0.73 P2RX7 (0.47) P2RX7MTORRPTORMLST8TACR3
SCHEMBL20141539 0.72 PARP1 (0.46) MTORRPTORMLST8DRD4
SCHEMBL20141956 0.72 MTOR (0.46) MTORRPTORMLST8TACR3DRD2
SCHEMBL20140044 0.72 MTOR (0.54) MTORRPTORMLST8TACR3DRD2
SCHEMBL20139982 0.70 MTOR (0.50) MTORRPTORMLST8TACR3DRD2

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