SCHEMBL31228150

SCHEMBL31228150

C[C@@]1(O)[C@H](O)[C@@H](CI)O[C@H]1c1ccc2c(N)ncnn12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.36
POLRMT O00411 1/20 0.36
PRMT5 O14744 5/20 0.34
WDR77 Q9BQA1 5/20 0.34
DOT1L Q8TEK3 3/20 0.33
TNK2 Q07912 2/20 0.32
MAP4K4 O95819 1/20 0.31

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
SCHEMBL13695331 0.90 ADORA2A (0.46) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL13519758 0.90 ADORA2A (0.46) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL646134 0.90 ADORA2A (0.46) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL2722884 0.90 ADORA2A (0.46) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL17109576 0.90 ADORA2A (0.46) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL19644967 0.90 ADORA2A (0.46) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL17117149 0.90 ADORA2A (0.46) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL3703700 0.82 POLRMT (0.45) POLRMT
SCHEMBL13532225 0.81 PRMT5 (0.36) ADORA2APOLRMTPRMT5WDR77DOT1L
SCHEMBL3696204 0.79 POLRMT (0.52) POLRMT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705313-A2 4'-SUBSTITUTED NUCLEOSIDES AND NUCLEOTIDES AS ANTIVIRAL AGENTS The Scripps Research Institute (US) 2026-03-11 EP disclosed
WO-2024227159-A2 4'-SUBSTITUTED NUCLEOSIDES AND NUCLEOTIDES AS ANTIVIRAL AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2024-10-31 WO disclosed