SCHEMBL8626012

SCHEMBL8626012

COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](OC)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.64
ADORA1 P30542 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
KMT2A Q03164 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
DOT1L Q8TEK3 1/20 0.60
SLC29A1 Q99808 1/20 0.60
PI4K2A Q9BTU6 1/20 0.60
SLC28A3 Q9HAS3 1/20 0.60

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
SCHEMBL12360837 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL21999233 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12376383 1.00 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL6223541 0.93 ADORA3 (0.63) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL18521951 0.91 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL22399463 0.91 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL21999056 0.91 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12646732 0.91 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12015181 0.91 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B
SCHEMBL12590125 0.91 ADORA3 (0.64) ADORA3ADORA1SMN1; SMN2ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212201-B1 NUCLEOSIDE KINASE INHIBITORS BCI PHARMA (FR) 2022-10-19 EP claimed
EP-3212201-B1 NUCLEOSIDE KINASE INHIBITORS BCI PHARMA (FR) 2022-10-19 EP disclosed
US-5773603-A ADENOSINE DEAMINASE INHIBITOR NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
US-5705491-A Adenosine deaminase inhibitor NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1998-01-06 US disclosed
EP-0601322-A2 Adenosindeaminase inhibitor NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1994-06-15 EP disclosed
EP-0269574-B1 NOVEL ADENOSINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AS AN ACTIVE INGREDIENT NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1992-03-18 EP disclosed
US-4843066-A HYPOTENSIVE AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 US disclosed