SCHEMBL16024938

SCHEMBL16024938

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@@H]1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 5/20 0.48
▸ P2RX1 P51575 3/20 0.48
▸ P2RX3 P56373 3/20 0.48
▸ ENPP1 P22413 2/20 0.48
▸ P2RX4 Q99571 2/20 0.48
▸ P2RY11 Q96G91 2/20 0.48
▸ P2RY6 Q15077 1/20 0.48
▸ P2RY12 Q9H244 2/20 0.47
▸ RNASEL Q05823 4/20 0.46
▸ P2RX2 Q9UBL9 1/20 0.45
▸ FUT5 Q11128 1/20 0.44
▸ GPR17 Q13304 2/20 0.43

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
SCHEMBL19827632 0.92 CA5A (0.44) P2RY1P2RX3P2RY11RNASEL
SCHEMBL19187036 0.90 NT5E (0.41) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL23584294 0.90 P2RY1 (0.57) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL19186857 0.88 FUT5 (0.40) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL18726343 0.85 NT5E (0.39) FUT5
SCHEMBL20059105 0.85 P2RX1 (0.40) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL23010941 0.84 NT5E (0.39) P2RY1P2RY11
SCHEMBL31029199 0.84 P2RY1 (0.68) P2RY1P2RX1P2RX3ENPP1P2RX4
SCHEMBL20056910 0.84 NT5E (0.38) P2RY1P2RY11
SCHEMBL19827519 0.84 NT5E (0.37) P2RY1P2RX1P2RX3ENPP1P2RX4

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-2014137926-A1 3'-DEOXY NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS, INC. (US) 2014-09-12 — — WO disclosed
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