SCHEMBL28963715

SCHEMBL28963715

COc1ncnc2c1nc(OC)n2Cc1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 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
SCHEMBL28939432 0.86 HPGD (0.47) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL28939424 0.78 HPGD (0.59) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL28939435 0.76 DAPK1 (0.45) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL28939434 0.76 TLR7 (0.45) GAATSHRALDH1A1LMNAMAPT
SCHEMBL28939428 0.75 MAPK1 (0.44) MEN1KMT2ALMNAHPGD
SCHEMBL28939426 0.75 ADORA3 (0.43) —
SCHEMBL28939430 0.74 HPGD (0.41) HPGD
SCHEMBL28963610 0.72 SCN9A (0.42) HPGD
SCHEMBL19291053 0.72 TLR7 (0.65) —
SCHEMBL28939431 0.68 ALDH1A1 (0.44) TSHRMEN1KMT2AALDH1A1MAPT

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
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