SCHEMBL30289754

SCHEMBL30289754

Nc1ncnc2c1ncn2CCBr

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.71
▸ ADORA1 P30542 5/20 0.71
▸ ADORA2B P29275 1/20 0.71
▸ PI4KA P42356 3/20 0.65
▸ PI4K2B Q8TCG2 3/20 0.65
▸ PI4K2A Q9BTU6 3/20 0.65
▸ PI4KB Q9UBF8 3/20 0.65
▸ NSD3 Q9BZ95 5/20 0.59
▸ NSD2 O96028 4/20 0.59
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ ADCY5 O95622 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
SCHEMBL218588 1.00 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11008256 0.90 ADORA2A (0.72) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11222112 0.89 ADORA2A (0.80) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5016779 0.89 ADORA2A (0.70) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11012652 0.87 ADORA2A (0.68) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL11010323 0.87 ADORA2A (0.68) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL2638103 0.84 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL5033136 0.84 ADORA2A (0.73) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL15841807 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B
SCHEMBL16762626 0.83 ADORA2A (0.71) ADORA2AADORA1ADORA2BPI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114044849-B Cucurbituril supramolecular conductive hydrogel with toughness and viscosity and preparation method thereof 山东大学 2023-03-10 — — CN claimed
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
CN-114044849-B Cucurbituril supramolecular conductive hydrogel with toughness and viscosity and preparation method thereof 山东大学 2023-03-10 — — CN disclosed
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