SCHEMBL20141516

SCHEMBL20141516

Cc1cc(C)c(C(=O)N2CCN(c3ccccn3)C(=O)C2)cc1CN1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.46
RPTOR Q8N122 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.42
P2RX7 Q99572 3/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 4/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NOD2 Q9HC29 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL20140767 0.86 MTOR (0.54) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20159215 0.86 MTOR (0.61) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20139946 0.83 MTOR (0.48) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140751 0.79 MTOR (0.60) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140812 0.79 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL20140023 0.79 MTOR (0.61) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20139966 0.79 MTOR (0.61) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140531 0.78 MTOR (0.49) MTORRPTORMLST8ALDH1A1GAA
SCHEMBL20159231 0.76 MTOR (0.68) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20157035 0.75 NPC1 (0.46) MTORRPTORMLST8ALDH1A1KDM4E

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