SCHEMBL13288619

SCHEMBL13288619

O=C(N1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1)C1(C2=CCCC=C2)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.60
▸ CDK2 P24941 6/20 0.46
▸ CCNE1 P24864 5/20 0.46

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
SCHEMBL12954096 0.88 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13119236 0.87 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL13119175 0.85 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL12952884 0.83 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12952880 0.83 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12952868 0.83 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12954388 0.82 GSK3B (0.75) GSK3BCDK2CCNE1
SCHEMBL13119122 0.81 GSK3B (0.77) GSK3BCDK2CCNE1
SCHEMBL12953884 0.81 GSK3B (0.77) GSK3BCDK2CCNE1
SCHEMBL13119103 0.81 GSK3B (0.70) 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-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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