SCHEMBL14050958

SCHEMBL14050958

O=S(=O)(c1ccccc1O)N1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.65
▸ CDK2 P24941 9/20 0.51
▸ CCNE1 P24864 6/20 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
SCHEMBL13120614 0.93 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL13120568 0.91 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL14607251 0.91 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13120572 0.91 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12954252 0.91 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13120593 0.91 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL12954029 0.89 GSK3B (0.63) GSK3BCDK2CCNE1
SCHEMBL13120604 0.89 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13120596 0.89 GSK3B (0.60) GSK3BCDK2CCNE1
SCHEMBL12953954 0.87 GSK3B (0.68) 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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