SCHEMBL13289590

SCHEMBL13289590

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(CC(C)c4ccccc4)CC3)nc12

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.57
▸ CHEK1 O14757 1/20 0.47
▸ CDK2 P24941 3/20 0.44
▸ CCNE1 P24864 2/20 0.44

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
SCHEMBL13289369 0.93 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1
SCHEMBL13122026 0.91 GSK3B (0.72) GSK3BCDK2CCNE1
SCHEMBL14418669 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL14301719 0.86 GSK3B (0.54) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545270 0.85 GSK3B (0.67) GSK3BCHEK1CDK2CCNE1
SCHEMBL14043403 0.85 GSK3B (0.60) GSK3BCHEK1CDK2CCNE1
SCHEMBL13146324 0.84 GSK3B (0.77) GSK3BCHEK1CDK2CCNE1
SCHEMBL12954525 0.84 GSK3B (0.61) GSK3BCHEK1CDK2CCNE1
SCHEMBL14043206 0.84 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1
SCHEMBL14050829 0.84 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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