SCHEMBL13288641

SCHEMBL13288641

C=Cc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)CCC(=O)OC)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.53
▸ CHEK1 O14757 1/20 0.44
▸ CDK2 P24941 5/20 0.42
▸ CCNE1 P24864 4/20 0.41

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
SCHEMBL13118860 0.89 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL14418687 0.85 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288716 0.84 GSK3B (0.52) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545243 0.84 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288736 0.83 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545943 0.82 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545821 0.82 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289236 0.81 GSK3B (0.48) GSK3BCHEK1
SCHEMBL13119099 0.81 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL12953895 0.80 GSK3B (0.51) 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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