SCHEMBL25711998

SCHEMBL25711998

O=c1ccn([C@H]2CCC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 16/20 0.61
P2RY4 P51582 10/20 0.61
POLA1 P09884 1/20 0.58
P2RY6 Q15077 7/20 0.58
P2RY14 Q15391 1/20 0.52

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
SCHEMBL661070 1.00 P2RY2 (0.61) P2RY2P2RY4POLA1P2RY6P2RY14
SCHEMBL22110865 1.00 P2RY2 (0.61) P2RY2P2RY4POLA1P2RY6P2RY14
SCHEMBL1501001 1.00 P2RY2 (0.61) P2RY2P2RY4POLA1P2RY6P2RY14
SCHEMBL9279845 0.98 P2RY6 (0.58) P2RY2P2RY4POLA1P2RY6P2RY14
SCHEMBL18427659 0.91 P2RY2 (0.52) P2RY2P2RY4POLA1P2RY6
SCHEMBL16807583 0.90 P2RY2 (0.61) P2RY2P2RY4POLA1P2RY6P2RY14
SCHEMBL21346154 0.90 P2RY2 (0.59) P2RY2P2RY4POLA1P2RY6P2RY14
SCHEMBL533609 0.89 DUT (0.53) P2RY2P2RY4P2RY6P2RY14
SCHEMBL20879422 0.89 DUT (0.53) P2RY2P2RY4P2RY6P2RY14
SCHEMBL29264470 0.89 DUT (0.53) P2RY2P2RY4P2RY6P2RY14

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-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed