SCHEMBL4386511

SCHEMBL4386511

NC1CCCCc2nc(-c3ccncn3)c(Br)c(=O)n21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.32
GSK3B P49841 2/20 0.31
CAMKK2 Q96RR4 1/20 0.31
CDC7 O00311 1/20 0.30

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
SCHEMBL4386507 0.73 GSK3B (0.35) ADORA2BGSK3BCAMKK2
SCHEMBL8234644 0.60 GSK3B (0.47) GSK3B
SCHEMBL1830258 0.59 GSK3B (0.49) GSK3B
SCHEMBL1833018 0.58 GSK3B (0.48) GSK3B
SCHEMBL1832336 0.57 GSK3B (0.47) GSK3B
SCHEMBL2065123 0.57 GSK3B (0.47) GSK3B
SCHEMBL18060303 0.57 KDM4E (0.48)
SCHEMBL18060187 0.57 KDM4E (0.48)
SCHEMBL13910999 0.56 HSP90AA1 (0.50) GSK3BCDC7
SCHEMBL2064851 0.56 GSK3B (0.48) GSK3B

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-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed