SCHEMBL14547287

SCHEMBL14547287

COC1=C(c2cc(Nc3cccnc3)n3ncc(Br)c3n2)C=CCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.45
▸ CDK2 P24941 6/20 0.41
▸ CCNE1 P24864 4/20 0.41

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
SCHEMBL13998513 0.78 GSK3B (0.59) GSK3BCDK2CCNE1
SCHEMBL13998518 0.77 MAPT (0.55) GSK3BCDK2CCNE1
SCHEMBL13998482 0.76 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL13998528 0.75 GSK3B (0.62) GSK3BCDK2CCNE1
SCHEMBL13998521 0.74 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13998503 0.73 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13998494 0.73 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL13998461 0.73 GSK3B (0.82) GSK3BCDK2CCNE1
SCHEMBL13998583 0.72 GSK3B (0.49) GSK3BCDK2CCNE1
SCHEMBL14547158 0.72 GSK3B (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044401-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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