SCHEMBL2167291

SCHEMBL2167291

O=c1ccn([C@@H]2O[C@H](C(Br)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 16/20 0.62
P2RY6 Q15077 7/20 0.58
P2RY4 P51582 7/20 0.58
ENPP1 P22413 1/20 0.55
P2RY14 Q15391 2/20 0.53

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
SCHEMBL5068300 0.89 P2RY2 (0.63) P2RY2P2RY6P2RY4ENPP1P2RY14
SCHEMBL607048 0.88 P2RY2 (0.62) P2RY2P2RY6P2RY4ENPP1P2RY14
SCHEMBL8440687 0.88 P2RY2 (0.62) P2RY2P2RY6P2RY4ENPP1P2RY14
SCHEMBL18770063 0.88 P2RY2 (0.62) P2RY2P2RY6P2RY4ENPP1P2RY14
SCHEMBL30612530 0.88 P2RY2 (0.62) P2RY2P2RY6P2RY4ENPP1P2RY14
SCHEMBL622268 0.87 P2RY2 (0.62) P2RY2P2RY6P2RY4P2RY14
SCHEMBL622267 0.87 P2RY2 (0.62) P2RY2P2RY6P2RY4P2RY14
SCHEMBL8440925 0.86 P2RY2 (0.60) P2RY2P2RY6P2RY4P2RY14
SCHEMBL2800171 0.86 P2RY2 (0.61) P2RY2P2RY6P2RY4P2RY14
SCHEMBL8437839 0.85 P2RY2 (0.61) P2RY2P2RY6P2RY4P2RY14

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
US-7985541-B2 Quantitative assay for detection of newly synthesized RNA in a cell-free system and identification of RNA synthesis inhibitors ACHILLION PHARMACEUTICALS, INC. (US) 2011-07-26 US disclosed
EP-1735470-B1 QUANTITATIVE ASSAY FOR DETECTION OF NEWLY SYNTHESIZED RNA IN A CELL-FREE SYSTEM AND IDENTIFICATION OF RNA SYNTHESIS INHIBITORS ACHILLION PHARMACEUTICALS INC (US) 2010-04-21 EP disclosed
US-20070141558-A1 Quantitative assay for detection of newly synthesized rna in a cell-free system and indentification of rna synthesis inhibitors ACHILLION PHARMACEUTICALS, INC. 2007-06-21 US disclosed
EP-1735470-A1 QUANTITATIVE ASSAY FOR DETECTION OF NEWLY SYNTHESIZED RNA IN A CELL-FREE SYSTEM AND IDENTIFICATION OF RNA SYNTHESIS INHIBITORS Achillion Pharmaceuticals, Inc. (US) 2006-12-27 EP disclosed
WO-2005095655-A1 QUANTITATIVE ASSAY FOR DETECTION OF NEWLY SYNTHESIZED RNA IN A CELL-FREE SYSTEM AND IDENTIFICATION OF RNA SYNTHESIS INHIBITORS ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 WO disclosed