SCHEMBL4456205

SCHEMBL4456205

C[C@H]1O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O.Clc1nc(Cl)c2nc[nH]c2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.76
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
ADORA2A P29274 3/20 0.49
ADORA1 P30542 3/20 0.49
ADORA2B P29275 2/20 0.49
PDE2A O00408 1/20 0.48
ADRA1A P35348 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
DNMT1 P26358 3/20 0.47
NT5E P21589 1/20 0.47
SARS1 P49591 1/20 0.46
P2RY1 P47900 4/20 0.45
P2RY11 Q96G91 2/20 0.45
DNMT3B Q9UBC3 2/20 0.45

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
SCHEMBL4451394 0.87 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL3877328 0.87 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL19843960 0.87 ADORA3 (1.00) ADORA3CA1CA2CA4CA9
SCHEMBL4456208 0.86 ADORA3 (0.74) ADORA3CA1CA2CA4CA9
SCHEMBL12746256 0.78 ADORA3 (0.80) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL21089137 0.78 ADORA3 (0.80) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL21089007 0.78 ADORA3 (0.80) ADORA3ADORA2AADORA1PDE2AADRA1A
SCHEMBL19843948 0.76 ADORA3 (0.77) ADORA3LMNAADORA2AADORA1ADORA2B
SCHEMBL4452559 0.76 ADORA3 (0.77) ADORA3LMNAADORA2AADORA1ADORA2B
SCHEMBL4452551 0.76 ADORA3 (0.77) ADORA3LMNAADORA2AADORA1ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844063-A4 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2009-06-17 EP disclosed
EP-1844063-A1 PURINE NUCLEOSIDE ANALOGS Uti Limited Partnership (CA) 2007-10-17 EP disclosed
WO-2006081665-A1 PURINE NUCLEOSIDE ANALOGS UTI LIMITED PARTNERSHIP (CA) 2006-08-10 WO disclosed