SCHEMBL12953062

SCHEMBL12953062

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(S(C)(=O)=O)C3)nc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.58
▸ CHEK1 O14757 1/20 0.51
▸ CDK2 P24941 5/20 0.43
▸ CCNE1 P24864 2/20 0.42

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
SCHEMBL13116990 0.91 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL12953502 0.90 GSK3B (0.72) GSK3BCDK2CCNE1
SCHEMBL13305374 0.90 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL12953940 0.89 GSK3B (0.53) GSK3BCHEK1
SCHEMBL14301590 0.89 GSK3B (0.55) GSK3BCHEK1
SCHEMBL14545843 0.89 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL14418704 0.88 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL14301575 0.88 GSK3B (0.53) GSK3BCHEK1CDK2
SCHEMBL14043442 0.88 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL14043358 0.88 GSK3B (0.53) GSK3BCHEK1CDK2

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 2 patents. 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
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
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