SCHEMBL29092912

SCHEMBL29092912

Nc1ncnc2c1ncn2CCOc1ccc(I)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NSD3 Q9BZ95 12/20 1.00
NSD2 O96028 11/20 1.00
LMNA P02545 2/20 0.77
SMN1; SMN2 Q16637 2/20 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 0.59
PDE3A Q14432 2/20 0.56
ADORA2A P29274 2/20 0.56
ADORA1 P30542 2/20 0.56
ADORA2B P29275 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
SCHEMBL29093676 0.89 NSD3 (0.81) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL10016522 0.87 LMNA (1.00) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL29093002 0.87 NSD3 (1.00) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL29093660 0.87 NSD3 (1.00) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL29093669 0.87 NSD3 (1.00) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL29093422 0.87 NSD3 (1.00) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL29093062 0.85 NSD3 (1.00) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL29093280 0.84 NSD3 (1.00) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL13170095 0.82 NSD3 (0.72) NSD3NSD2LMNASMN1; SMN2CA1
SCHEMBL29092926 0.82 CA1 (0.70) NSD3NSD2LMNASMN1; SMN2CA1

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
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