SCHEMBL13289831

SCHEMBL13289831

Bc1cnn2c(NCc3cccnc3)cc(NCC(O)c3ccccc3)nc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 14/20 0.52
▸ CDK2 P24941 7/20 0.48
▸ CCNE1 P24864 4/20 0.48

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
SCHEMBL13122803 0.89 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL13289624 0.89 GSK3B (0.55) GSK3BCDK2CCNE1
SCHEMBL14545294 0.86 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13289958 0.85 GSK3B (0.59) GSK3BCDK2CCNE1
SCHEMBL12954561 0.81 GSK3B (0.59) GSK3BCDK2CCNE1
SCHEMBL14581378 0.81 CDK7 (0.56) GSK3BCDK2CCNE1
SCHEMBL13305130 0.80 GSK3B (0.62) GSK3BCDK2CCNE1
SCHEMBL13289954 0.79 GSK3B (0.54) GSK3BCDK2CCNE1
SCHEMBL13289823 0.79 GSK3B (0.56) GSK3BCDK2CCNE1
SCHEMBL12954504 0.79 GSK3B (0.56) 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-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
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