SCHEMBL24699883

SCHEMBL24699883

C[C@@]1(C#N)[C@H](O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1c1ccc2c(N)ncnn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLRMT O00411 1/20 0.52
P2RX1 P51575 2/20 0.43
P2RX3 P56373 2/20 0.43
P2RX4 Q99571 1/20 0.43
RNASEL Q05823 2/20 0.42
P2RX2 Q9UBL9 1/20 0.42
P2RY2 P41231 1/20 0.41
P2RY4 P51582 1/20 0.41
ENTPD1 P49961 1/20 0.40
P2RY1 P47900 2/20 0.39

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
SCHEMBL17129839 1.00 POLRMT (0.52) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL24699828 0.93 POLRMT (0.50) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL24699895 0.93 POLRMT (0.50) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL15682895 0.89 POLRMT (0.55) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL17129824 0.89 P2RX1 (0.43) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL17124611 0.88 P2RY2 (0.42) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL13519829 0.88 POLRMT (0.55) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL3699139 0.88 POLRMT (0.55) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL16710862 0.88 POLRMT (0.55) POLRMTP2RX1P2RX3P2RX4RNASEL
SCHEMBL10149537 0.87 POLRMT (0.56) POLRMTP2RX1P2RX3P2RX4RNASEL

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