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SCHEMBL29317531

SCHEMBL29317531

Nc1ncnc2c1ncn2[C@@H]1C2C[C@@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 13/20 1.00
▸ P2RY2 P41231 5/20 1.00
▸ P2RY11 Q96G91 1/20 1.00
▸ ADORA3 P0DMS8 4/20 0.69
▸ ADORA2A P29274 2/20 0.64

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
SCHEMBL15082694 1.00 P2RY1 (1.00) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL19503936 1.00 P2RY1 (1.00) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL29317535 0.99 P2RY1 (0.98) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL22938129 0.99 P2RY1 (0.98) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL5807761 0.91 P2RY1 (0.84) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL19464975 0.90 P2RY1 (0.82) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL19459719 0.87 P2RY1 (0.81) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL19464861 0.87 P2RY1 (1.00) P2RY1P2RY2P2RY11ADORA3ADORA2A
SCHEMBL26934769 0.87 P2RY1 (1.00) P2RY1P2RY2P2RY11ADORA3
SCHEMBL19459915 0.86 P2RY1 (0.76) P2RY1P2RY2P2RY11ADORA3ADORA2A

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
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
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