SCHEMBL8923023

SCHEMBL8923023

Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.77
ADORA3 P0DMS8 3/20 0.77
ADORA1 P30542 2/20 0.77
PDE2A O00408 1/20 0.77
ADRA1A P35348 1/20 0.77
PDE4D Q08499 1/20 0.77
PDE3A Q14432 1/20 0.77
LMNA P02545 1/20 0.64
NT5E P21589 1/20 0.64
HIF1A Q16665 1/20 0.64
CD99 P14209 1/20 0.64
ADORA2B P29275 4/20 0.60

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
SCHEMBL8923008 1.00 ADORA2A (0.77) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL7038412 0.90 LMNA (0.75) ADORA2AADORA3ADORA1LMNANT5E
SCHEMBL7038406 0.90 LMNA (0.75) ADORA2AADORA3ADORA1LMNANT5E
SCHEMBL12667516 0.89 ADORA2A (0.80) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL1897825 0.89 ADORA2A (0.80) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL24233629 0.89 ADORA2A (0.80) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL15544938 0.89 ADORA2A (0.80) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL1897823 0.89 ADORA2A (0.80) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL1897828 0.89 ADORA2A (0.80) ADORA2AADORA3ADORA1PDE2AADRA1A
SCHEMBL29403114 0.89 ADORA2A (0.80) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661136-A 2-halo-2'-fluoro ARA adenosines as antinoplastic agents SOUTHERN RESEARCH INSTITUTE (US) 1997-08-26 US disclosed
EP-0595826-A4 2'-FLUORO-2-SUBSTITUTED ADENINYL ARABINOSIDES AS ANTI-CANCER AGENTS SOUTHERN RES INST (US) 1996-01-10 EP disclosed
US-5384310-A Antitumor SOUTHERN RESEARCH INSTITUTE (US) 1995-01-24 US disclosed
EP-0595826-A1 2'-FLUORO-2-SUBSTITUTED ADENINYL ARABINOSIDES AS ANTI-CANCER AGENTS Southern Research Institute (US) 1994-05-11 EP disclosed
US-5034518-A Anticarcinogenic agents SOUTHERN RESEARCH INSTITUTE (US) 1991-07-23 US disclosed