SCHEMBL13288630

SCHEMBL13288630

Bc1cnn2c(NCc3cccnc3)cc(C3CCCN(C(=O)/C(C)=C/c4ccccc4)C3)nc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.55
▸ CHEK1 O14757 1/20 0.46
▸ CDK2 P24941 4/20 0.43
▸ CCNE1 P24864 3/20 0.43

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
SCHEMBL13119183 0.93 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13304610 0.88 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL12953916 0.87 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1
SCHEMBL14043165 0.86 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL14050920 0.85 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL13304611 0.85 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13305284 0.85 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL13118912 0.85 GSK3B (0.69) GSK3BCDK2CCNE1
SCHEMBL14613296 0.84 GSK3B (0.54) GSK3BCHEK1CDK2CCNE1
SCHEMBL14607095 0.84 GSK3B (0.63) 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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