SCHEMBL12954525

SCHEMBL12954525

Bc1ccc(CN2CCC(c3cc(NCc4cccnc4)n4ncc(B)c4n3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.61
▸ CHEK1 O14757 1/20 0.48
▸ CDK2 P24941 5/20 0.44
▸ CCNE1 P24864 2/20 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
SCHEMBL14043403 0.93 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289352 0.92 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289421 0.92 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289453 0.91 GSK3B (0.57) GSK3BCHEK1CDK2
SCHEMBL13289814 0.91 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289787 0.91 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289844 0.90 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL14050829 0.89 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954524 0.88 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289827 0.88 GSK3B (0.58) 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
Send feedback