SCHEMBL13289366

SCHEMBL13289366

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4cccc(N)c4)CC3)nc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.55
▸ CHEK1 O14757 1/20 0.43
▸ CDK2 P24941 5/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NAMPT P43490 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ FKBP1A P62942 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
SCHEMBL13289097 0.91 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1TSHR
SCHEMBL12953928 0.91 GSK3B (0.55) GSK3BCHEK1CDK2TSHRNAMPT
SCHEMBL13289096 0.91 GSK3B (0.55) GSK3BCHEK1CDK2TSHRNAMPT
SCHEMBL12954475 0.89 GSK3B (0.58) GSK3BCHEK1TSHRNAMPTLMNA
SCHEMBL14613311 0.89 GSK3B (0.53) GSK3BCHEK1CDK2TSHRNAMPT
SCHEMBL13289101 0.88 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1TSHR
SCHEMBL14545841 0.88 GSK3B (0.56) GSK3BCHEK1NAMPTLMNA
SCHEMBL14307160 0.87 GSK3B (0.51) GSK3BCHEK1CDK2TSHRNAMPT
SCHEMBL14545240 0.87 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13288870 0.87 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT

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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