SCHEMBL31469083

SCHEMBL31469083

OCc1ccc(Nc2nc(Cl)nc3c2SCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 15/20 0.47
▸ PDE4D Q08499 15/20 0.47
▸ YTHDC1 Q96MU7 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ TYR P14679 1/20 0.32

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 0.80 PDE4B (0.49) PDE4BPDE4D
SCHEMBL30542633 0.80 PDE4B (0.50) PDE4BPDE4D
SCHEMBL29056205 0.80 PDE4B (0.50) PDE4BPDE4D
SCHEMBL31469077 0.76 SYK (0.41) —
SCHEMBL31491322 0.74 PDE4B (0.57) PDE4BPDE4D
SCHEMBL19624259 0.73 NFKB1 (0.51) —
SCHEMBL31491328 0.73 KIF11 (0.41) PDE4BPDE4D
SCHEMBL15659184 0.72 PDE4B (0.54) PDE4BPDE4D
SCHEMBL13211477 0.72 HPGD (0.46) PDE4BPDE4D
SCHEMBL31670509 0.72 TGFBR1 (0.39) 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
CN-119684313-A Macrocyclic compound and preparation method and application thereof 上海爱科百发生物医药技术股份有限公司 2025-03-25 — — CN disclosed
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