SCHEMBL24699896

SCHEMBL24699896

COP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@](C#N)(c2cnc3c(N)ncnn23)[C@](C)(C#N)[C@@H]1O

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 3/20 0.38
▸ P2RX3 P56373 3/20 0.38
▸ P2RX4 Q99571 2/20 0.38
▸ P2RY1 P47900 6/20 0.37
▸ P2RY2 P41231 2/20 0.37
▸ P2RX2 Q9UBL9 2/20 0.37
▸ SRC P12931 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MACROD2 A1Z1Q3 1/20 0.35
▸ SIRT6 Q8N6T7 1/20 0.35
▸ MACROD1 Q9BQ69 1/20 0.35
▸ TRPM2 O94759 1/20 0.35
▸ POLRMT O00411 1/20 0.35

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
SCHEMBL17129820 0.94 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL17129815 0.94 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL24700204 0.90 P2RX1 (0.37) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL15682900 0.88 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL17525235 0.88 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL24700004 0.86 P2RX1 (0.41) P2RX1P2RX3P2RX4P2RY1P2RX2
SCHEMBL17129812 0.85 P2RX1 (0.42) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL17129837 0.85 P2RX1 (0.42) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL17124612 0.84 P2RX1 (0.38) P2RX1P2RX3P2RX4P2RY1P2RY2
SCHEMBL17129823 0.83 POLRMT (0.47) P2RX1P2RX3P2RX4P2RX2POLRMT

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-2909209-B1 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC (US) 2022-08-03 — — EP disclosed
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