SCHEMBL6837087

SCHEMBL6837087

Nc1nc(Cl)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.81
ADORA2A P29274 5/20 0.81
PDE2A O00408 1/20 0.81
ADORA1 P30542 1/20 0.81
ADRA1A P35348 1/20 0.81
PDE4D Q08499 1/20 0.81
PDE3A Q14432 1/20 0.81
LMNA P02545 2/20 0.78
TP53 P04637 1/20 0.78
NT5E P21589 1/20 0.75
HIF1A Q16665 1/20 0.75
ADORA2B P29275 3/20 0.73
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA4 P22748 1/20 0.72
CA9 Q16790 1/20 0.72

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
SCHEMBL19953842 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL1663268 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL20128458 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL13863559 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL104095 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL104094 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL1389446 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL397323 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL6886946 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL4535914 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460082-A1 Phospholipid esters of clofarabine derivatives Heidelberg Pharma Holding GmbH (DE) 2004-09-22 EP disclosed