SCHEMBL5697587

SCHEMBL5697587

O=c1nc(NC2O[C@H](CO)[C@@H](O)[C@@H]2O)c(Br)c[nH]1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.47
ADK P55263 1/20 0.43
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
TSHR P16473 1/20 0.41
CA12 O43570 3/20 0.39
CA9 Q16790 3/20 0.39
PYGB P11216 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PYGM P11217 1/20 0.37

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
SCHEMBL6882333 1.00 GSK3B (0.47) GSK3BADKCA1CA2TSHR
SCHEMBL6888305 0.90 GSK3B (0.38) GSK3BADKCA1CA2TSHR
SCHEMBL11198199 0.86 GSK3B (0.47) GSK3BADKCA1CA2TSHR
SCHEMBL3363495 0.86 GSK3B (0.47) GSK3BADKCA1CA2TSHR
SCHEMBL5697577 0.86 GSK3B (0.47) GSK3BADKCA1CA2TSHR
SCHEMBL6889028 0.86 GSK3B (0.47) GSK3BADKCA1CA2TSHR
SCHEMBL4286250 0.86 GSK3B (0.47) GSK3BADKCA1CA2TSHR
SCHEMBL3718127 0.86 GSK3B (0.47) GSK3BADKCA1CA2TSHR
SCHEMBL6887314 0.85 GSK3B (0.47) GSK3BADKCA1CA2TSHR
SCHEMBL6887317 0.85 GSK3B (0.49) GSK3BADKCA1CA2TSHR

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-1668023-A1 B-L-NUCLEOSIDES AND USE THEREOF AS PHARMACEUTICAL AGENTS FOR TREATING VIRAL DISEASES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 2006-06-14 EP disclosed
WO-2005026186-A1 Β-L-NUCLEOSIDES AND USE THEREOF AS PHARMACEUTICAL AGENTS FOR TREATING VIRAL DISEASES Max-Delbrück-Centrum für Molekulare Medizin (DE) 2005-03-24 WO disclosed