SCHEMBL29124874

SCHEMBL29124874

CC(C)(C)OC(=O)Nc1nc(SC2CCCCC2)nc2[nH]cnc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OGFRL1 Q5TC84 1/20 0.37
▸ CCR7 P32248 1/20 0.36
▸ NPR3 P17342 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ EPHX1 P07099 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL29124870 0.83 SYK (0.37) SYKAURKAAURKBL3MBTL1
SCHEMBL29124862 0.80 SYK (0.36) SYKGAAAURKAAURKBL3MBTL1
SCHEMBL30046588 0.80 CCR7 (0.31) CCR7
SCHEMBL27157693 0.78 CCR7 (0.30) CCR7
SCHEMBL22939319 0.77 SYK (0.39) SYKL3MBTL1
SCHEMBL29593210 0.77 SYK (0.39) SYKL3MBTL1
SCHEMBL19738205 0.77 SYK (0.39) SYKAURKAL3MBTL1
SCHEMBL19738337 0.77 SYK (0.39) SYKL3MBTL1
SCHEMBL19738339 0.76 SYK (0.39) SYKL3MBTL1
SCHEMBL29124861 0.75 IDO1 (0.42) AURKAAURKB

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
CN-117241803-A Purine nucleosides, intermediates and methods of making the same 阿斯特罗赛特制药公司 2023-12-15 — — CN disclosed
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