SCHEMBL13289827

SCHEMBL13289827

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(Cc4cccc(-c5ccccc5)c4)CC3)nc12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.58
▸ CCNE1 P24864 8/20 0.51
▸ CDK2 P24941 8/20 0.51
▸ CHEK1 O14757 1/20 0.47

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
SCHEMBL14301722 0.91 GSK3B (0.55) GSK3BCCNE1CDK2CHEK1
SCHEMBL13122068 0.90 GSK3B (0.73) GSK3BCCNE1CDK2
SCHEMBL14043403 0.90 GSK3B (0.60) GSK3BCCNE1CDK2CHEK1
SCHEMBL14418875 0.90 GSK3B (0.56) GSK3BCCNE1CDK2CHEK1
SCHEMBL13289787 0.89 GSK3B (0.59) GSK3BCCNE1CDK2CHEK1
SCHEMBL12954525 0.88 GSK3B (0.61) GSK3BCCNE1CDK2CHEK1
SCHEMBL14050829 0.88 GSK3B (0.61) GSK3BCCNE1CDK2CHEK1
SCHEMBL13289844 0.87 GSK3B (0.56) GSK3BCCNE1CDK2CHEK1
SCHEMBL13289352 0.87 GSK3B (0.58) GSK3BCCNE1CDK2CHEK1
SCHEMBL12954144 0.86 GSK3B (0.57) GSK3BCCNE1CDK2CHEK1

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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