SCHEMBL8971129

SCHEMBL8971129

Nc1nc(OCc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)c2n1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 5/20 0.62
▸ ADORA2A P29274 5/20 0.61
▸ ADORA2B P29275 3/20 0.61
▸ NT5E P21589 1/20 0.61
▸ MGMT P16455 2/20 0.60
▸ PDE2A O00408 2/20 0.59
▸ ADORA3 P0DMS8 4/20 0.57
▸ ADORA1 P30542 4/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ PDE3A Q14432 1/20 0.57
▸ CD99 P14209 1/20 0.54

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
SCHEMBL8971138 1.00 SLC29A1 (0.62) SLC29A1ADORA2AADORA2BNT5EMGMT
SCHEMBL21145007 0.92 SLC29A1 (0.74) SLC29A1ADORA2AADORA2BMGMTADORA3
SCHEMBL19366683 0.89 NT5E (0.72) SLC29A1ADORA2AADORA2BNT5EPDE2A
SCHEMBL8970895 0.85 ADORA2A (0.62) SLC29A1ADORA2AADORA2BNT5EPDE2A
SCHEMBL8970907 0.85 ADORA2A (0.62) SLC29A1ADORA2AADORA2BNT5EPDE2A
SCHEMBL22193718 0.85 SLC29A1 (0.63) SLC29A1ADORA2AADORA2BMGMTADORA3
SCHEMBL24233631 0.84 ADORA2A (0.63) SLC29A1ADORA2AADORA2BNT5EPDE2A
SCHEMBL8970348 0.84 ADORA2A (0.63) SLC29A1ADORA2AADORA2BNT5EPDE2A
SCHEMBL8970329 0.84 ADORA2A (0.63) SLC29A1ADORA2AADORA2BNT5EPDE2A
SCHEMBL22430950 0.84 ADORA2A (0.63) SLC29A1ADORA2AADORA2BNT5EPDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417999-B1 Antiviral compounds WELLCOME FOUND (GB) 1996-03-13 — — EP disclosed
EP-0671410-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-13 — — EP disclosed
US-5420115-A Method for the treatment of protoza infections with 21 -deoxy-21 -fluoropurine nucleosides BURROUGHS WELLCOME CO. (US) 1995-05-30 — — US disclosed
EP-0417999-A1 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-03-20 — — EP disclosed
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