SCHEMBL20142826

SCHEMBL20142826

COS(=O)(=O)N[C@@H]1O[C@@H](n2nc(C)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ATG7 O95352 17/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PI4KA P42356 1/20 0.36
▸ PI4K2B Q8TCG2 1/20 0.36
▸ PI4K2A Q9BTU6 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL20141727 0.88 ATG7 (0.50) ATG7RXFP1
SCHEMBL20142034 0.82 ATG7 (0.61) ATG7
SCHEMBL20142322 0.77 ATG7 (0.70) ATG7RXFP1
SCHEMBL20142351 0.75 PI4KA (0.62) ATG7RXFP1PI4KAPI4K2BPI4K2A
SCHEMBL20142202 0.72 ATG7 (0.63) ATG7
SCHEMBL20141736 0.71 ATG7 (0.62) ATG7
SCHEMBL20142044 0.69 ATG7 (0.58) ATG7RXFP1PI4KAPI4K2BPI4K2A
SCHEMBL20142147 0.69 ATG7 (0.74) ATG7RXFP1
SCHEMBL20142135 0.69 PI4KA (0.59) ATG7RXFP1PI4KAPI4K2BPI4K2A
SCHEMBL20141719 0.69 ATG7 (0.72) ATG7RXFP1

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-2018089786-A1 ATG7 INHIBITORS AND THE USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
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