SCHEMBL24700004

SCHEMBL24700004

C[C@@]1(C#N)[C@H](C=O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@]1(C#N)c1cnc2c(N)ncnn12

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 3/20 0.41
▸ P2RX3 P56373 3/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ P2RX2 Q9UBL9 1/20 0.39
▸ POLRMT O00411 1/20 0.37
▸ RNASEL Q05823 2/20 0.36
▸ ENTPD1 P49961 2/20 0.36
▸ P2RY1 P47900 2/20 0.34

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 0.91 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129815 0.91 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17525235 0.88 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL15682900 0.88 P2RX1 (0.43) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL24699896 0.86 P2RX1 (0.38) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129812 0.82 P2RX1 (0.42) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129837 0.82 P2RX1 (0.42) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17124612 0.81 P2RX1 (0.38) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129823 0.80 POLRMT (0.47) P2RX1P2RX3P2RX4P2RX2POLRMT
SCHEMBL17129838 0.80 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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