SCHEMBL13289145

SCHEMBL13289145

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.53
▸ CHEK1 O14757 1/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ CCNE1 P24864 4/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ CDK9 P50750 1/20 0.39

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
SCHEMBL13305202 0.93 GSK3B (0.52) GSK3BCHEK1MEN1USP2HPGD
SCHEMBL13121485 0.92 GSK3B (0.66) GSK3BCCNE1CDK2
SCHEMBL14043233 0.91 GSK3B (0.56) GSK3BCHEK1CCNE1CDK2CDK9
SCHEMBL13289498 0.90 GSK3B (0.56) GSK3BCHEK1CCNE1CDK2
SCHEMBL14043406 0.90 GSK3B (0.56) GSK3BCHEK1NAMPTCCNE1CDK2
SCHEMBL12954095 0.87 GSK3B (0.54) GSK3BCHEK1MEN1MAPTKMT2A
SCHEMBL13289156 0.87 GSK3B (0.56) GSK3BCHEK1MEN1KMT2ACCNE1
SCHEMBL13289814 0.86 GSK3B (0.57) GSK3BCHEK1CCNE1CDK2
SCHEMBL12953740 0.85 GSK3B (0.64) GSK3BCCNE1CDK2
SCHEMBL12954326 0.85 GSK3B (0.58) GSK3BCHEK1CCNE1CDK2

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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