SCHEMBL13288942

SCHEMBL13288942

C=Cc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.53
▸ CHEK1 O14757 1/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CCNE1 P24864 1/20 0.38

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
SCHEMBL13120552 0.89 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13289383 0.86 GSK3B (0.52) GSK3BCHEK1CDK2MAPTCCNE1
SCHEMBL13289113 0.86 GSK3B (0.51) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289389 0.85 GSK3B (0.53) GSK3BCHEK1CDK2POLB
SCHEMBL13120553 0.83 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL13288938 0.83 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289098 0.83 GSK3B (0.51) GSK3BCHEK1POLB
SCHEMBL13288941 0.82 KMT2A (0.55) GSK3BCHEK1POLB
SCHEMBL13289102 0.82 GSK3B (0.50) GSK3BCHEK1CDK2CCNE1
SCHEMBL14301574 0.81 GSK3B (0.51) GSK3BCHEK1CDK2POLB

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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