SCHEMBL12953701

SCHEMBL12953701

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=C)c4ccccc4-c4ccccc4)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.55
▸ CHEK1 O14757 1/20 0.47
▸ CDK2 P24941 9/20 0.46
▸ CCNE1 P24864 6/20 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
SCHEMBL13288822 0.91 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1
SCHEMBL14418928 0.91 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL14043396 0.90 GSK3B (0.54) GSK3BCHEK1CDK2CCNE1
SCHEMBL14581985 0.85 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL14301565 0.84 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288831 0.83 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289048 0.83 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288717 0.83 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954326 0.83 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1
SCHEMBL12953866 0.83 GSK3B (0.54) 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-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
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