SCHEMBL31491372

SCHEMBL31491372

[O-][S@+]1CCc2nc(Cl)nc(NC3CCC(CO)CC3)c21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL15976749 0.90 KMT2A (0.33) ADORA3ADORA2AADORA1KMT2A
SCHEMBL31491334 0.89 — —
SCHEMBL31474619 0.86 ADORA3 (0.32) ADORA3ADORA2AADORA2BADORA1KMT2A
SCHEMBL22734104 0.84 KMT2A (0.40) PDE4AADORA3ADORA2AADORA2BADORA1
SCHEMBL22734115 0.84 KMT2A (0.38) PDE4AADORA3ADORA2AADORA2BADORA1
SCHEMBL22734105 0.83 KMT2A (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL20840622 0.81 MAPK1 (0.35) PDE4DADORA3MAPK1KMT2A
SCHEMBL516176 0.81 MAPK1 (0.35) PDE4DADORA3MAPK1KMT2A
SCHEMBL20851935 0.81 MAPK1 (0.35) PDE4DADORA3MAPK1KMT2A
SCHEMBL31491308 0.80 — —

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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