SCHEMBL31491391

SCHEMBL31491391

Cc1nnc(-c2ccc(-c3nc4c(c(NC5CCC(O)CC5)n3)[S@+]([O-])CC4)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.39
▸ ADORA2A P29274 2/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ MAPK14 Q16539 3/20 0.35
▸ MAP2K1 Q02750 1/20 0.35
▸ ACP1 P24666 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ SGK1 O00141 3/20 0.32
▸ MAPK11 Q15759 1/20 0.32
▸ FAAH O00519 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ PRMT5 O14744 2/20 0.31
▸ LATS1 O95835 1/20 0.31
▸ LATS2 Q9NRM7 1/20 0.31
▸ IRAK1 P51617 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ MERTK Q12866 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 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
SCHEMBL31491271 0.85 ADORA1 (0.39) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL31491291 0.82 ADORA2A (0.37) ADORA1ADORA2AADORA3ADORA2BMAPK14
SCHEMBL31491363 0.76 LATS1 (0.38) MAPK14MAPK11LATS1LATS2
SCHEMBL31491311 0.74 LTA4H (0.33) —
SCHEMBL31491337 0.72 PRKCI (0.34) MAPK14IRAK1
SCHEMBL31491283 0.71 GSK3B (0.37) MAPK14
SCHEMBL31491327 0.71 GSK3B (0.37) MAPK14
SCHEMBL31474619 0.71 ADORA3 (0.32) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL31474601 0.70 S1PR5 (0.32) MAPK14AXLMERTK
SCHEMBL12921298 0.69 MAPT (0.39) —

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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