SCHEMBL5613282

SCHEMBL5613282

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1OC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.89
P2RX2 Q9UBL9 5/20 0.89
P2RX4 Q99571 5/20 0.89
P2RX1 P51575 4/20 0.89
P2RY11 Q96G91 2/20 0.89
P2RX7 Q99572 2/20 0.89
ENPP1 P22413 1/20 0.89
P2RX6 O15547 1/20 0.89
P2RX5 Q93086 1/20 0.89
RNASEL Q05823 3/20 0.68
P2RY1 P47900 3/20 0.64
P2RY2 P41231 2/20 0.64
SRC P12931 1/20 0.64
ALDH1A1 P00352 1/20 0.64
SMN1; SMN2 Q16637 1/20 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
SCHEMBL4563043 1.00 P2RX3 (0.89) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL30181339 1.00 P2RX3 (0.89) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL5847070 0.97 P2RX3 (0.91) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL29381827 0.94 ENPP1 (1.00) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL19248226 0.94 ENPP1 (1.00) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL1441797 0.94 ENPP1 (1.00) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL3682844 0.94 ENPP1 (1.00) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL19255493 0.94 ENPP1 (1.00) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL29810828 0.93 ENPP1 (0.99) P2RX3P2RX2P2RX4P2RX1P2RY11
SCHEMBL5848925 0.91 ENPP1 (0.94) P2RX3P2RX2P2RX4P2RX1P2RY11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007020018-A1 USE OF PURINERGIC AND PYRIMIDINERGIC RECEPTOR AGONISTS FOR DENDRITIC CELLS BASED IMMUNOTHERAPIES UNIVERSITE LIBRE DE BRUXELLES (BE) 2007-02-22 WO disclosed
WO-2003028712-A2 PURINERGIC AND PYRIMIDINERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF ACTIVATED CD4+ T LYMPHOCYTE-MEDIATED IMMUNE DISEASES UNIVERSITE LIBRE DE BRUXELLES (BE) 2003-04-10 WO disclosed