SCHEMBL31491283

SCHEMBL31491283

Cc1nnc(-c2ccc(-c3nc4c(c(NC5(CN6CCOCC6)CC5)n3)[S+]([O-])CC4)cc2)o1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ TLR9 Q9NR96 3/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL31491327 1.00 GSK3B (0.37) GSK3BDYRK1ATLR9MAPK14USP2
SCHEMBL31491363 0.82 LATS1 (0.38) MAPK14
SCHEMBL31491293 0.76 — —
SCHEMBL31491391 0.71 ADORA1 (0.39) MAPK14
SCHEMBL31491290 0.69 LATS1 (0.36) —
SCHEMBL31491323 0.68 LATS1 (0.38) —
SCHEMBL31084050 0.67 TLR9 (0.43) TLR9
SCHEMBL31491319 0.66 LATS1 (0.41) —
SCHEMBL31083959 0.65 LATS1 (0.43) —
SCHEMBL31083963 0.65 LATS1 (0.41) ALOX15HSD17B10SMN1; SMN2

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-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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