SCHEMBL18089710

SCHEMBL18089710

CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)C3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 6/20 1.00
▸ ENPP1 P22413 4/20 1.00
▸ P2RY12 Q9H244 3/20 1.00
▸ P2RY11 Q96G91 3/20 0.98
▸ P2RX1 P51575 1/20 0.98
▸ P2RX3 P56373 1/20 0.98
▸ P2RY6 Q15077 1/20 0.98
▸ P2RX4 Q99571 1/20 0.98
▸ BLM P54132 2/20 0.77
▸ LMNA P02545 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ NPSR1 Q6W5P4 1/20 0.77
▸ PMP22 Q01453 1/20 0.75

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
SCHEMBL195865 1.00 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL195864 1.00 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL10120953 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL29381860 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL375602 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL375601 0.99 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL12216627 0.96 P2RY1 (0.95) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL18089712 0.94 P2RY1 (0.89) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL18089797 0.93 P2RY1 (1.00) P2RY1ENPP1P2RY12P2RY11P2RX1
SCHEMBL3490789 0.93 P2RY1 (0.86) P2RY1ENPP1P2RY12P2RY11P2RX1

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
WO-2016147185-A1 ADENOSINE THIOPHOSPHATE DERIVATIVES AND USES THEREOF BAR-ILAN UNIVERSITY (IL) 2016-09-22 — — WO disclosed
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