SCHEMBL31491336

SCHEMBL31491336

O=c1cc(CCNc2nc(Cl)nc3c2[S@+]([O-])CC3)cc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 2/20 0.33
▸ GPR84 Q9NQS5 1/20 0.31
▸ IP6K1 Q92551 1/20 0.31
▸ TTBK1 Q5TCY1 1/20 0.31
▸ TTBK2 Q6IQ55 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
SCHEMBL31491368 0.78 KCNJ1 (0.32) —
SCHEMBL31491313 0.78 NPC1 (0.35) APPGPR84IP6K1TTBK1TTBK2
SCHEMBL22734117 0.72 KMT2A (0.34) —
SCHEMBL22734119 0.70 TLR8 (0.37) —
SCHEMBL31491395 0.70 CD274 (0.34) —
SCHEMBL22734113 0.70 LMNA (0.37) —
SCHEMBL31491366 0.67 KIF11 (0.39) —
SCHEMBL30785590 0.67 EZH2 (0.37) —
SCHEMBL22734112 0.67 ESR1 (0.40) —
SCHEMBL30785579 0.64 KDM4E (0.36) —

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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