SCHEMBL28939424

SCHEMBL28939424

COc1ncnc2c1ncn2Cc1cccc(C)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.59
▸ DAPK1 P53355 1/20 0.56
▸ LMNA P02545 1/20 0.52
▸ RECQL P46063 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ FLT4 P35916 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP11B1 P15538 1/20 0.49
▸ CYP11B2 P19099 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ PI4K2B Q8TCG2 1/20 0.47
▸ PI4K2A Q9BTU6 1/20 0.47

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
9-Benzyl-6-Methoxy-9H-Purine SCHEMBL28939425 0.85 HPGD (0.77) HPGDDAPK1LMNAMEN1HTT
SCHEMBL28963715 0.78 GAA (0.42) HPGDLMNAMEN1KMT2ANPSR1
SCHEMBL3395811 0.77 HSP90AA1 (0.57) HPGDDAPK1LMNARECQLMEN1
SCHEMBL29424867 0.75 HPGD (0.56) HPGDDAPK1RECQLMEN1HTT
SCHEMBL22533420 0.75 HPGD (0.56) HPGDDAPK1RECQLMEN1HTT
SCHEMBL5458724 0.74 YTHDC1 (0.61) HPGDDAPK1ADORA2AADORA1
SCHEMBL17364335 0.73 ADORA2A (0.60) HPGDDAPK1RECQLMEN1HTT
SCHEMBL17115735 0.72 DAPK1 (1.00) HPGDDAPK1HTTADORA2API4KA
SCHEMBL15214193 0.71 SLC29A1 (0.46) HPGDLMNAMEN1HTTKMT2A
SCHEMBL22326733 0.71 ADORA2A (0.62) HPGDDAPK1LMNAFLT4KDR

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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