SCHEMBL12953745

SCHEMBL12953745

Nc1ccc(CC(=O)N2CCCC(c3cc(NCc4cccnc4)n4ncc(Br)c4n3)C2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.62
▸ CDK2 P24941 9/20 0.50
▸ CCNE1 P24864 7/20 0.49

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
SCHEMBL13119240 0.94 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL14418838 0.90 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13119194 0.90 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13119103 0.89 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13119223 0.89 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13119246 0.87 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13119208 0.86 GSK3B (0.62) GSK3BCDK2CCNE1
SCHEMBL13118997 0.86 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL12952880 0.85 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12953714 0.85 GSK3B (0.64) GSK3BCDK2CCNE1

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-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
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