SCHEMBL12954238

SCHEMBL12954238

CN1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.78
▸ CDK2 P24941 6/20 0.64
▸ CCNE1 P24864 3/20 0.57
▸ CHEK1 O14757 1/20 0.56

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
SCHEMBL13122120 0.89 GSK3B (0.72) GSK3BCDK2CCNE1CHEK1
SCHEMBL13305208 0.89 GSK3B (0.85) GSK3BCDK2CCNE1
SCHEMBL12953591 0.89 GSK3B (0.98) GSK3BCDK2CCNE1
SCHEMBL13122203 0.89 GSK3B (0.80) GSK3BCDK2CCNE1
SCHEMBL12954242 0.89 GSK3B (0.77) GSK3BCDK2CCNE1
SCHEMBL13122124 0.88 GSK3B (0.71) GSK3BCDK2CCNE1CHEK1
SCHEMBL13122126 0.88 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12952884 0.88 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12952848 0.88 GSK3B (1.00) GSK3BCDK2CCNE1
SCHEMBL13122207 0.88 GSK3B (0.82) 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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