SCHEMBL13289050

SCHEMBL13289050

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)c4c(C)cc(C)cc4C)CC3)nc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.58
▸ CHEK1 O14757 1/20 0.46
▸ CDK2 P24941 5/20 0.43
▸ CCNE1 P24864 4/20 0.43

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
SCHEMBL13119034 0.92 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL13288625 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288638 0.88 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1
SCHEMBL13305370 0.88 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289048 0.87 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL12953848 0.86 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288814 0.86 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL14418926 0.86 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288837 0.86 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288752 0.85 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1

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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