SCHEMBL17859261

SCHEMBL17859261

Cc1cn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)[C@H]2Cl)c(=S)[nH]c1=S

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 15/20 0.55
P2RY4 P51582 5/20 0.55
P2RY14 Q15391 4/20 0.49
P2RY6 Q15077 4/20 0.48
P2RX3 P56373 1/20 0.46

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
SCHEMBL21577339 1.00 P2RY2 (0.55) P2RY2P2RY4P2RY14P2RY6P2RX3
SCHEMBL17859264 0.92 P2RY2 (0.56) P2RY2P2RY4P2RY14P2RY6
SCHEMBL21577367 0.92 P2RY2 (0.56) P2RY2P2RY4P2RY14P2RY6
SCHEMBL21577366 0.92 P2RY2 (0.56) P2RY2P2RY4P2RY6
SCHEMBL17859265 0.92 P2RY2 (0.56) P2RY2P2RY4P2RY6
SCHEMBL21577303 0.92 P2RY2 (0.64) P2RY2P2RY4P2RY14P2RY6
SCHEMBL17859275 0.92 P2RY2 (0.64) P2RY2P2RY4P2RY14P2RY6
SCHEMBL17859270 0.90 P2RY2 (0.56) P2RY2P2RY4P2RY14P2RY6
SCHEMBL21577304 0.90 P2RY2 (0.56) P2RY2P2RY4P2RY14P2RY6
SCHEMBL21577364 0.89 P2RY2 (0.55) P2RY2P2RY4P2RY14P2RY6

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-2016099982-A2 PHOSPHORAMIDATES FOR THE TREATMENT OF HEPATITIS B VIRUS EMORY UNIVERSITY (US) 2016-06-23 WO disclosed