SCHEMBL20157206

SCHEMBL20157206

C=C(C)/C(=C\C=C/C)N1CCN(Cc2cc(C(=O)N3CCN(c4oc(C5CC5)nc4C)CC3)c(C)cc2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.40
RPTOR Q8N122 1/20 0.40
MLST8 Q9BVC4 1/20 0.40
PLA2G1B P04054 1/20 0.33
POLB P06746 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
GRIN2B Q13224 3/20 0.31
FASN P49327 2/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20157195 0.84 GRIN2B (0.39) PLA2G1BPOLBATG4BGRIN2BMEN1
SCHEMBL20157205 0.80 MTOR (0.54) MTORRPTORMLST8GRIN2BMEN1
SCHEMBL20157044 0.77 GRIN2B (0.35) PLA2G1BPOLBATG4BGRIN2BMEN1
SCHEMBL20157045 0.76 GRIN2B (0.34) PLA2G1BPOLBATG4BGRIN2BMEN1
SCHEMBL20157312 0.75 GRIN2B (0.33) PLA2G1BPOLBATG4BGRIN2BMEN1
SCHEMBL20157222 0.72 GRIN2B (0.38) GRIN2BMEN1KMT2A
SCHEMBL20157118 0.71 MTOR (0.76) MTORRPTORMLST8FASN
SCHEMBL20157290 0.69 MTOR (0.50) MTORRPTORMLST8MEN1KMT2A
SCHEMBL20157298 0.65 PLA2G1B (0.38) PLA2G1BPOLBATG4BGRIN2BMEN1
SCHEMBL20157307 0.65 PLA2G1B (0.38) PLA2G1BPOLBATG4BGRIN2BMEN1

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