SCHEMBL14050828

SCHEMBL14050828

Brc1cnn2c(NCc3cccnc3)cc(C3CCCN(C4CCC(CI)CC4)C3)nc12

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.70
▸ CDK2 P24941 7/20 0.51
▸ CCNE1 P24864 4/20 0.51

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
SCHEMBL12954242 0.92 GSK3B (0.77) GSK3BCDK2CCNE1
SCHEMBL13122203 0.92 GSK3B (0.80) GSK3BCDK2CCNE1
SCHEMBL13122207 0.91 GSK3B (0.82) GSK3BCDK2CCNE1
SCHEMBL13122210 0.91 GSK3B (0.72) GSK3BCDK2CCNE1
SCHEMBL13122213 0.89 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL13122208 0.89 GSK3B (0.72) GSK3BCDK2CCNE1
SCHEMBL13122224 0.88 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL12954531 0.88 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13122205 0.88 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL14418857 0.88 GSK3B (0.70) 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-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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