SCHEMBL21782406

SCHEMBL21782406

COOCCC(OC)C(O)C(O)n1c(N)nc2c(N)ncnc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.38
ADORA1 P30542 10/20 0.38
ADORA2B P29275 9/20 0.38
ADORA3 P0DMS8 4/20 0.38
HSPA5 P11021 2/20 0.34
HSPA8 P11142 2/20 0.34
HSP90B1 P14625 2/20 0.33
ALDH1A1 P00352 1/20 0.33
FBP1 P09467 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ADA P00813 2/20 0.32
PDE2A O00408 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL21082493 0.77 PRMT5 (0.37)
SCHEMBL21082387 0.71 CCNB2 (0.34) ADORA2AADORA1ADORA2BALDH1A1ADA
SCHEMBL21782407 0.71 CCNB2 (0.42) ADORA1ADORA3
SCHEMBL21082442 0.69
SCHEMBL21782435 0.67 CDK1 (0.44) ADORA2AADORA1ADORA2BADORA3PDE4D
SCHEMBL21082443 0.65 HPRT1 (0.42)
SCHEMBL24435571 0.65 ADORA2A (0.51) ADORA2AADORA1ADORA2BALDH1A1ADA
SCHEMBL21082477 0.63
SCHEMBL20014135 0.63 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3FBP1
SCHEMBL22475026 0.63 ADORA2A (0.52) ADORA2AADORA1ADORA2BALDH1A1ADA

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-3682905-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2021-12-01 EP disclosed
EP-3492109-B1 MODIFIED NUCLEOSIDES, NUCLEOTIDES, AND NUCLEIC ACIDS, AND USES THEREOF MODERNATX INC (US) 2020-03-04 EP disclosed