SCHEMBL25720747

SCHEMBL25720747

Nc1nc(N)c2ncn(C[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](CO)[C@H]3O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 7/20 0.51
▸ P2RX3 P56373 4/20 0.51
▸ P2RX1 P51575 3/20 0.51
▸ ENPP1 P22413 2/20 0.51
▸ P2RX4 Q99571 2/20 0.51
▸ P2RY6 Q15077 1/20 0.51
▸ P2RY11 Q96G91 1/20 0.51
▸ P2RY12 Q9H244 1/20 0.49
▸ P2RX2 Q9UBL9 2/20 0.49
▸ RNASEL Q05823 2/20 0.48
▸ IMPDH2 P12268 1/20 0.48
▸ IMPDH1 P20839 1/20 0.48
▸ NT5E P21589 1/20 0.47
▸ GPR17 Q13304 2/20 0.47
▸ P2RY2 P41231 2/20 0.47
▸ SRC P12931 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TRPM2 O94759 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
SCHEMBL25712592 0.92 P2RY1 (0.46) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL25720618 0.89 P2RX1 (0.61) P2RY1P2RX3P2RX1P2RX4P2RY11
SCHEMBL18503413 0.85 P2RY1 (0.67) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL25723534 0.83 RNASEL (0.47) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL20058653 0.80 P2RY1 (0.47) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL13857854 0.78 P2RY1 (0.79) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL625828 0.78 P2RY1 (0.79) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL3502237 0.78 P2RY1 (0.79) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL17211052 0.78 P2RY1 (0.79) P2RY1P2RX3P2RX1ENPP1P2RX4
SCHEMBL29471291 0.78 P2RY1 (0.79) P2RY1P2RX3P2RX1ENPP1P2RX4

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
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