SCHEMBL8215986

SCHEMBL8215986

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.55
▸ ADORA2A P29274 4/20 0.47
▸ ADORA3 P0DMS8 3/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ PDE2A O00408 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NT5E P21589 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HSP90B1 P14625 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43
▸ ADORA2B P29275 1/20 0.42

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
SCHEMBL8222030 1.00 AHCY (0.55) AHCYADORA2AADORA3ADORA1PDE2A
SCHEMBL8215983 1.00 AHCY (0.55) AHCYADORA2AADORA3ADORA1PDE2A
SCHEMBL8216887 0.91 AHCY (0.58) AHCYADORA2AADORA3ADORA1PDE2A
SCHEMBL8216884 0.91 AHCY (0.58) AHCYADORA2AADORA3ADORA1PDE2A
SCHEMBL8709225 0.89 AHCY (0.58) AHCYADORA2AADORA3ADORA1LMNA
SCHEMBL12636459 0.89 AHCY (0.58) AHCYADORA2AADORA3ADORA1LMNA
SCHEMBL3746390 0.89 AHCY (0.58) AHCYADORA2AADORA3ADORA1LMNA
SCHEMBL8709942 0.89 AHCY (0.58) AHCYADORA2AADORA3ADORA1LMNA
SCHEMBL3750374 0.89 AHCY (0.58) AHCYADORA2AADORA3ADORA1LMNA
SCHEMBL3746380 0.89 AHCY (0.58) AHCYADORA2AADORA3ADORA1LMNA

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
US-6103707-A TREATMENT OF HERPES SIMPLEX VIRUS 1 (HSV-1), HERPES SIMPLEX VIRUS 2 (HSV-2), HUMAN CYTOMEGALOVIRUS (HCMV) AND VARICELLA-ZOSTER VIRUS YAMASA CORPORATION (JP) 2000-08-15 — — US claimed
EP-0839813-A1 9-(2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSYL)PURINE DERIVATIVES YAMASA CORPORATION (JP) 1998-05-06 — — EP claimed
US-6103707-A TREATMENT OF HERPES SIMPLEX VIRUS 1 (HSV-1), HERPES SIMPLEX VIRUS 2 (HSV-2), HUMAN CYTOMEGALOVIRUS (HCMV) AND VARICELLA-ZOSTER VIRUS YAMASA CORPORATION (JP) 2000-08-15 — — US disclosed
EP-0839813-A1 9-(2-DEOXY-2-FLUORO-4-THIO-BETA-D-ARABINOFURANOSYL)PURINE DERIVATIVES YAMASA CORPORATION (JP) 1998-05-06 — — EP disclosed
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