SCHEMBL31491292

SCHEMBL31491292

COc1ccc(-c2nc3c(c(Nc4ccc(OCC(=O)O)cc4)n2)[S@+]([O-])CC3)cc1F

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 16/20 0.53
▸ PDE4D Q08499 16/20 0.53
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ KIT P10721 1/20 0.38

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
SCHEMBL31491377 0.72 SYK (0.47) —
SCHEMBL17313521 0.71 PDE4B (0.76) PDE4BPDE4D
SCHEMBL17313505 0.70 PDE4B (0.60) PDE4BPDE4DABCG2
SCHEMBL31491312 0.65 PDE4B (0.47) PDE4BPDE4D
SCHEMBL31572369 0.64 PDE4B (0.40) PDE4BPDE4D
SCHEMBL18868938 0.63 PDE4B (0.49) PDE4BPDE4D
SCHEMBL17290216 0.62 PDE4B (0.58) PDE4BPDE4D
SCHEMBL31491381 0.62 PDE4B (0.40) PDE4BPDE4D
SCHEMBL7260444 0.61 MAPT (0.75) —
SCHEMBL17313523 0.61 PDE4B (0.76) PDE4BPDE4D

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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