SCHEMBL9569382

SCHEMBL9569382

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.49
▸ SLC29A1 Q99808 7/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ ADA P00813 1/20 0.44
▸ PGK1 P00558 1/20 0.42
▸ PGK2 P07205 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
SCHEMBL29722605 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL930687 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL19644951 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL17109574 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL18656252 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL13030120 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL15948782 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL17117139 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL16001101 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B
SCHEMBL14785979 0.91 ADORA2A (0.51) ADORA2ASLC29A1ADORA3ADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0576227-A2 2'-Deoxy-2',2'-difluoro(2,6,8-substituted) purine nucleosides having anti-viral and anti-cancer activity and intermediates ELI LILLY AND COMPANY (US) 1993-12-29 — — EP claimed
EP-0576227-A2 2'-Deoxy-2',2'-difluoro(2,6,8-substituted) purine nucleosides having anti-viral and anti-cancer activity and intermediates ELI LILLY AND COMPANY (US) 1993-12-29 — — EP disclosed
Send feedback