SCHEMBL14050920

SCHEMBL14050920

C=C(/C(C)=C/c1ccccc1)N1CCCC(c2cc(NCc3cccnc3)n3ncc(Br)c3n2)C1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.64
▸ CDK2 P24941 6/20 0.51
▸ CCNE1 P24864 3/20 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
SCHEMBL13119183 0.92 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12952884 0.86 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL13118912 0.85 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13288630 0.85 GSK3B (0.55) GSK3BCDK2CCNE1
SCHEMBL13119131 0.85 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13119103 0.84 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL14607095 0.83 GSK3B (0.63) GSK3BCDK2CCNE1
SCHEMBL12954506 0.83 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL12953563 0.83 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL12952868 0.83 GSK3B (0.73) 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
Send feedback