SCHEMBL28939430

SCHEMBL28939430

CCCCCCCCCCCCOc1nc2c(OC)ncnc2n1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ TLR7 Q9NYK1 9/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 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
SCHEMBL28939434 0.87 TLR7 (0.45) HPGDTLR7ADORA2AADORA1
SCHEMBL28939428 0.86 MAPK1 (0.44) HPGDADORA2AADORA1
SCHEMBL28939432 0.86 HPGD (0.47) HPGDADORA2AADORA1
SCHEMBL28939435 0.81 DAPK1 (0.45) HPGDADORA2AADORA1
SCHEMBL28963610 0.76 SCN9A (0.42) HPGDADORA2AADORA1
SCHEMBL28963715 0.74 GAA (0.42) HPGD
SCHEMBL7209567 0.72 TLR7 (0.69) TLR7
SCHEMBL5730244 0.71 ADORA2A (0.51) TLR7ADORA2AADORA1
SCHEMBL9668943 0.70 AGTR1 (0.47) —
SCHEMBL9669767 0.70 AGTR1 (0.53) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524815-B 8-alkoxypurine derivative and preparation method and application thereof 华南理工大学 2023-05-23 — — CN disclosed
CN-114524815-A 8-alkoxy purine derivative and preparation method and application thereof 华南理工大学 2022-05-24 — — CN disclosed
Send feedback