SCHEMBL13289428

SCHEMBL13289428

Bc1cnn2c(NCc3cccc(CNS(=O)(=O)CCC)c3)cc(-c3ccccc3Cl)nc12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.51
▸ CDK2 P24941 8/20 0.51
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ KCNN3 Q9UGI6 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CCNE1 P24864 1/20 0.36

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
SCHEMBL13120621 0.90 CDK2 (0.65) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13289375 0.90 CDK2 (0.54) GSK3BCDK2CCNA2CCNA1KCNN3
SCHEMBL13289338 0.88 GSK3B (0.47) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL13288974 0.86 CDK2 (0.52) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL12954278 0.86 CDK2 (0.52) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL13289242 0.86 GSK3B (0.46) GSK3BCDK2CCNA2CCNA1MEN1
SCHEMBL13289430 0.85 GSK3B (0.49) GSK3BCDK2CCNA2CCNA1KCNN3
SCHEMBL13120656 0.85 CDK2 (0.69) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13289431 0.85 CDK2 (0.49) GSK3BCDK2CCNA2CCNA1KCNN3
SCHEMBL13288973 0.84 CDK2 (0.48) GSK3BCDK2CCNA2CCNA1

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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