SCHEMBL12954015

SCHEMBL12954015

O=S(=O)(c1cccc(CF)c1)N1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.64
▸ CDK2 P24941 7/20 0.48
▸ 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
SCHEMBL12954251 0.93 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13120584 0.91 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13120576 0.91 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13120602 0.91 GSK3B (0.62) GSK3BCDK2CCNE1
SCHEMBL12953968 0.90 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13120571 0.90 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL12954427 0.90 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL12953969 0.90 GSK3B (0.66) GSK3BCDK2CCNE1
SCHEMBL12953954 0.90 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL13120580 0.90 GSK3B (0.62) 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
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
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