SCHEMBL20139865

SCHEMBL20139865

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)C(=O)C2)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.48
MTOR P42345 2/20 0.41
RPTOR Q8N122 2/20 0.41
MLST8 Q9BVC4 2/20 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
SCHEMBL20139868 0.86 MTOR (0.52) MTORRPTORMLST8
SCHEMBL20140818 0.82 P2RX7 (0.46) P2RX7MTORRPTORMLST8
SCHEMBL20141373 0.81 MTOR (0.49) P2RX7MTORRPTORMLST8
SCHEMBL20140694 0.78 MTOR (0.50) MTORRPTORMLST8
SCHEMBL20139945 0.77 MTOR (0.49) P2RX7MTORRPTORMLST8
SCHEMBL13197677 0.76 NOTUM (0.47) P2RX7
SCHEMBL30280978 0.76 FASN (0.52)
SCHEMBL20139861 0.75 P2RX7 (0.47) P2RX7
SCHEMBL20139970 0.74 GRM1 (0.39) MTORRPTORMLST8
SCHEMBL20139990 0.74 MTOR (0.40) MTORRPTORMLST8

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