SCHEMBL13289156

SCHEMBL13289156

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)Nc4cc(Cl)cc(Cl)c4)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.56
▸ CHEK1 O14757 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CDK2 P24941 7/20 0.42
▸ CCNE1 P24864 5/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CDK9 P50750 1/20 0.40

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
SCHEMBL13289498 0.94 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1FAAH
SCHEMBL13121510 0.92 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL14043233 0.90 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1CDK9
SCHEMBL12954095 0.89 GSK3B (0.54) GSK3BCHEK1MEN1KMT2ACDK2
SCHEMBL14043406 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1FAAH
SCHEMBL12954329 0.88 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL14613416 0.88 GSK3B (0.52) GSK3BCHEK1CDK2CCNE1CDK9
SCHEMBL13289145 0.87 GSK3B (0.53) GSK3BCHEK1MEN1KMT2ACDK2
SCHEMBL12954326 0.87 GSK3B (0.58) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288814 0.86 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1

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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