SCHEMBL14598694

SCHEMBL14598694

COC(=O)c1ccccc1CC(=O)N1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.61
▸ CDK2 P24941 7/20 0.47
▸ CCNE1 P24864 4/20 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
SCHEMBL13119103 0.89 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13119216 0.88 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13119099 0.86 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL13119140 0.85 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13119246 0.85 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13119223 0.85 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13119038 0.85 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL12952884 0.85 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13119253 0.85 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13119101 0.85 GSK3B (0.64) GSK3BCDK2CCNE1

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
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — US disclosed
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