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SCHEMBL20156808

SCHEMBL20156808

Cc1cccc(N2CCN(C(=O)c3cc(CN4CCCN(c5ccc(Cc6cccc(N7CCN(C(=O)c8cc(CN9CCC(c%10ccccc%10C#N)CC9)ccc8C)CC7)n6)cc5C#N)CC4)ccc3C)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.38
▸ RPTOR Q8N122 2/20 0.38
▸ MLST8 Q9BVC4 2/20 0.38
▸ GBA1 P04062 6/20 0.37
▸ FASN P49327 1/20 0.37
▸ DRD4 P21917 1/20 0.35
▸ PARP1 P09874 3/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDE2A O00408 1/20 0.34

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
SCHEMBL20140777 0.89 DRD4 (0.43) MTORRPTORMLST8GBA1FASN
SCHEMBL20140304 0.86 GBA1 (0.44) MTORRPTORMLST8GBA1DRD4
SCHEMBL20141538 0.85 DRD4 (0.41) MTORRPTORMLST8GBA1DRD4
SCHEMBL20156963 0.84 GBA1 (0.45) MTORRPTORMLST8GBA1PARP1
SCHEMBL20157066 0.77 MTOR (0.46) MTORRPTORMLST8FASNDRD4
SCHEMBL20140318 0.76 KDM5A (0.45) MTORRPTORMLST8DRD4PDE2A
SCHEMBL20157111 0.76 KDM5A (0.45) MTORRPTORMLST8DRD4PDE2A
SCHEMBL20139895 0.76 DRD4 (0.46) MTORRPTORMLST8FASNDRD4
SCHEMBL20157068 0.76 DRD4 (0.46) FASNDRD4MEN1KMT2A
SCHEMBL20140897 0.75 MTOR (0.45) MTORRPTORMLST8GBA1PARP1

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