SCHEMBL13289148

SCHEMBL13289148

Bc1cnn2c(NCc3ccc(CNC(=O)c4ccoc4)cc3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.52
▸ GSK3B P49841 5/20 0.48
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PDE2A O00408 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ KLKB1 P03952 2/20 0.36
▸ CCNA2 P20248 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ KCNN1 Q92952 1/20 0.35
▸ KCNN2 Q9H2S1 1/20 0.35
▸ KCNN3 Q9UGI6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ F2 P00734 1/20 0.35

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
SCHEMBL13119424 0.90 CDK2 (0.66) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13288668 0.88 CDK2 (0.55) CDK2GSK3BPDE2APDE10AMEN1
SCHEMBL13288769 0.88 CDK2 (0.55) CDK2GSK3BPDE2APDE10ACCNA2
SCHEMBL13288809 0.88 CDK2 (0.43) CDK2GSK3BALDH1A1PDE2A
SCHEMBL13288882 0.87 CDK2 (0.54) CDK2GSK3BPDE2APDE10A
SCHEMBL13288768 0.87 CDK2 (0.54) CDK2GSK3BMEN1KMT2ACCNE1
SCHEMBL13289144 0.87 CDK2 (0.54) CDK2GSK3BALDH1A1MEN1KMT2A
SCHEMBL13119275 0.85 CDK2 (0.62) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13288775 0.85 CDK2 (0.52) CDK2GSK3BPDE2APDE10AKLKB1
SCHEMBL13288866 0.84 CDK2 (0.59) CDK2GSK3BCCNA2CCNA1MEN1

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-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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