SCHEMBL8971491

SCHEMBL8971491

CCCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.60
▸ ADORA3 P0DMS8 2/20 0.60
▸ ADORA1 P30542 2/20 0.60
▸ PDE2A O00408 1/20 0.60
▸ ADRA1A P35348 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ PDE3A Q14432 1/20 0.60
▸ ADORA2B P29275 5/20 0.60
▸ SLC29A1 Q99808 5/20 0.59
▸ CYP2C19 P33261 1/20 0.56

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
SCHEMBL8971472 1.00 ADORA2A (0.60) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8970907 0.92 ADORA2A (0.62) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8970895 0.92 ADORA2A (0.62) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8970348 0.89 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL22430950 0.89 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL24233636 0.89 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL24233631 0.89 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL8970329 0.89 ADORA2A (0.63) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL15255194 0.84 ADORA2A (0.52) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL15255193 0.84 ADORA2A (0.52) ADORA2AADORA3ADORA1PDE2AADRA1A

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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