SCHEMBL8971105

SCHEMBL8971105

CSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 14/20 0.67
ADORA3 P0DMS8 2/20 0.64
ADORA1 P30542 2/20 0.64
PDE2A O00408 1/20 0.64
ADORA2A P29274 1/20 0.64
ADRA1A P35348 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE3A Q14432 1/20 0.64
CYP2C19 P33261 1/20 0.60
CD99 P14209 1/20 0.55
PGK1 P00558 1/20 0.54
PGK2 P07205 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
SCHEMBL8971093 1.00 SLC29A1 (0.67) SLC29A1ADORA3ADORA1PDE2AADORA2A
SCHEMBL1979457 0.91 SLC29A1 (0.80) SLC29A1ADORA3ADORA1CYP2C19PGK1
SCHEMBL1979455 0.91 SLC29A1 (0.80) SLC29A1ADORA3ADORA1CYP2C19PGK1
SCHEMBL4856394 0.91 SLC29A1 (0.80) SLC29A1ADORA3ADORA1CYP2C19PGK1
SCHEMBL20724613 0.87 ADORA3 (0.67) SLC29A1ADORA3ADORA1PDE2AADORA2A
SCHEMBL24233629 0.87 ADORA2A (0.80) SLC29A1ADORA3ADORA1PDE2AADORA2A
SCHEMBL15544938 0.87 ADORA2A (0.80) SLC29A1ADORA3ADORA1PDE2AADORA2A
SCHEMBL1897825 0.87 ADORA2A (0.80) SLC29A1ADORA3ADORA1PDE2AADORA2A
SCHEMBL1897828 0.87 ADORA2A (0.80) SLC29A1ADORA3ADORA1PDE2AADORA2A
SCHEMBL12667516 0.87 ADORA2A (0.80) SLC29A1ADORA3ADORA1PDE2AADORA2A

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