SCHEMBL24699951

SCHEMBL24699951

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 7/20 0.41
▸ P2RX1 P51575 4/20 0.41
▸ P2RX2 Q9UBL9 3/20 0.41
▸ POLRMT O00411 1/20 0.41
▸ P2RX4 Q99571 6/20 0.40
▸ RNASEL Q05823 2/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ P2RY1 P47900 3/20 0.38
▸ P2RY2 P41231 2/20 0.38
▸ SRC P12931 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL20059049 0.87 POLRMT (0.55) P2RX3P2RX1P2RX2POLRMTP2RX4
SCHEMBL20404123 0.82 FUT5 (0.41) P2RX3P2RX1P2RX4P2RY1P2RY2
SCHEMBL24700209 0.81 POLRMT (0.48) P2RX3P2RX1P2RX2POLRMTP2RX4
SCHEMBL24791257 0.78 NPC1 (0.40) SRCSMN1; SMN2
SCHEMBL23960110 0.77 POLRMT (0.57) P2RX3P2RX1P2RX2POLRMTP2RX4
SCHEMBL15682898 0.77 P2RX1 (0.46) P2RX3P2RX1P2RX2POLRMTP2RX4
SCHEMBL12254003 0.76 P2RY2 (0.45) P2RX3P2RX1P2RX2POLRMTP2RX4
SCHEMBL9912288 0.76 POLB (0.33) P2RX3P2RX1P2RX2POLRMTP2RX4
SCHEMBL881477 0.76 P2RX1 (0.44) P2RX3P2RX1P2RX2POLRMTP2RX4
SCHEMBL22107764 0.75 POLRMT (0.39) P2RX3P2RX1P2RX2POLRMTP2RX4

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
Send feedback