SCHEMBL29093669

SCHEMBL29093669

COc1ccc(OCCn2cnc3c(N)ncnc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 11/20 1.00
LMNA P02545 2/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
NSD2 O96028 10/20 0.77
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA4 P22748 1/20 0.70
CA9 Q16790 1/20 0.70
HPGD P15428 1/20 0.62
PI4KA P42356 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
PI4KB Q9UBF8 1/20 0.60
ADORA2A P29274 3/20 0.59
ADORA1 P30542 2/20 0.59
ADORA2B P29275 1/20 0.59
PDE3A Q14432 1/20 0.56

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
SCHEMBL10016522 0.90 LMNA (1.00) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL29093676 0.89 NSD3 (0.81) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL29093002 0.87 NSD3 (1.00) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL29093422 0.87 NSD3 (1.00) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL29093660 0.87 NSD3 (1.00) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL29092912 0.87 NSD3 (1.00) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL29093062 0.85 NSD3 (1.00) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL13170095 0.84 NSD3 (0.72) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL29093280 0.84 NSD3 (1.00) NSD3LMNASMN1; SMN2NSD2CA1
SCHEMBL7165319 0.83 NSD3 (0.71) NSD3LMNASMN1; SMN2NSD2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025007801-A1 PURINE DERIVATIVE AND USE THEREOF 普美瑞(苏州)生物科技有限公司 2025-01-09 WO disclosed
CN-116942674-A Use of purine derivatives as NSD2 and NSD3 inhibitors 普美瑞(苏州)生物科技有限公司 2023-10-27 CN disclosed
CN-116903623-A Purine derivative and application thereof 普美瑞(苏州)生物科技有限公司 2023-10-20 CN disclosed