SCHEMBL31491322

SCHEMBL31491322

CCOC(=O)Cc1ccc(Nc2nc(Cl)nc3c2SCCC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 15/20 0.57
▸ PDE4D Q08499 15/20 0.57
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30785588 0.94 PDE4B (0.49) PDE4BPDE4DMAPTSMN1; SMN2HTT
SCHEMBL23586242 0.84 PDE4B (0.65) PDE4BPDE4D
SCHEMBL31572380 0.84 PDE4B (0.44) PDE4BPDE4DMAPTSMN1; SMN2POLB
SCHEMBL30785554 0.80 PDE4B (0.56) PDE4BPDE4D
SCHEMBL31572366 0.78 PDE4B (0.51) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL30785597 0.77 MAPT (0.43) MAPTSMN1; SMN2HTTKDM4EPOLB
SCHEMBL31572368 0.76 PDE4B (0.50) PDE4BPDE4DMAPTMEN1KMT2A
SCHEMBL31572403 0.76 PDE4B (0.43) PDE4BPDE4D
SCHEMBL31469083 0.74 PDE4B (0.47) PDE4BPDE4D
SCHEMBL17055090 0.73 MAPT (0.47) PDE4BMAPTSMN1; SMN2HTTKDM4E

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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