SCHEMBL20140987

SCHEMBL20140987

Cc1ccc(NC(=O)C2CN(C(=O)c3cc(NC4CCN(c5ccccc5C#N)CC4)c(C)cc3C)CCN2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.57
RPTOR Q8N122 8/20 0.57
MLST8 Q9BVC4 8/20 0.57
NAMPT P43490 1/20 0.40
POLB P06746 2/20 0.39
DRD4 P21917 3/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FASN P49327 1/20 0.35
ALOX15 P16050 1/20 0.35
PHGDH O43175 1/20 0.34
KDM1A O60341 1/20 0.34
PFKFB2 O60825 1/20 0.34
PFKFB1 P16118 1/20 0.34
PFKFB3 Q16875 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
SCHEMBL20140986 0.91 MTOR (0.58) MTORRPTORMLST8NAMPTL3MBTL1
SCHEMBL20133555 0.84 MTOR (0.64) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20133541 0.84 MTOR (0.64) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20150031 0.83 MTOR (0.70) MTORRPTORMLST8NAMPTFASN
SCHEMBL20133739 0.82 MTOR (0.78) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20150218 0.80 MTOR (0.74) MTORRPTORMLST8NAMPTDRD4
SCHEMBL22693146 0.79 MTOR (0.73) MTORRPTORMLST8NAMPTDRD4
SCHEMBL21340100 0.79 MTOR (0.64) MTORRPTORMLST8NAMPTDRD4
SCHEMBL21360387 0.79 MTOR (0.64) MTORRPTORMLST8NAMPTDRD4
SCHEMBL21360358 0.79 MTOR (0.64) MTORRPTORMLST8NAMPTDRD4

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
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed