SCHEMBL31126531

SCHEMBL31126531

COP(=O)(O)Cc1cccc(Cn2cnc3c(N)nc(OCCCO)nc32)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 7/20 0.49
▸ PNP P00491 6/20 0.45
▸ PDE4A P27815 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4C Q08493 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ YTHDC1 Q96MU7 2/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40

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
SCHEMBL31126606 0.86 PNP (0.43) TLR7PNPPDE4APDE4BPDE4C
SCHEMBL14312093 0.86 TLR7 (0.53) TLR7
SCHEMBL31126541 0.86 TLR7 (0.53) TLR7
SCHEMBL31126610 0.85 TLR7 (0.52) TLR7ADORA2A
SCHEMBL5468212 0.84 TLR7 (0.57) TLR7PNPYTHDC1ADORA2A
SCHEMBL3931613 0.84 TLR7 (0.49) TLR7PNP
SCHEMBL3922273 0.83 TLR7 (0.57) TLR7PNP
SCHEMBL7204698 0.81 PDE4A (0.57) TLR7PNPPDE4APDE4BPDE4C
SCHEMBL31126601 0.81 TLR7 (0.51) TLR7
SCHEMBL2060425 0.80 TLR7 (0.54) TLR7ADORA2AADORA2B

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-2024199063-A1 PHOSPHORUS OR SULFUR-CONTAINING MACROCYCLE AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2024-10-03 — — WO disclosed
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