SCHEMBL13289146

SCHEMBL13289146

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(C(=O)NCc4ccccc4Cl)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.53
▸ CDK2 P24941 5/20 0.47
▸ POLB P06746 1/20 0.43
▸ PSMB5 P28074 2/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ CXCR4 P61073 1/20 0.41
▸ CCNE1 P24864 2/20 0.41
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL14562075 0.91 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL12954326 0.91 GSK3B (0.58) GSK3BCDK2CHEK1CCNE1
SCHEMBL13288814 0.86 GSK3B (0.61) GSK3BCDK2CHEK1CCNE1
SCHEMBL13289498 0.86 GSK3B (0.56) GSK3BCDK2CHEK1CCNE1
SCHEMBL13289156 0.86 GSK3B (0.56) GSK3BCDK2CHEK1CCNE1
SCHEMBL13305370 0.84 GSK3B (0.61) GSK3BCDK2CHEK1CCNE1
SCHEMBL12953848 0.84 GSK3B (0.61) GSK3BCDK2CHEK1CCNE1
SCHEMBL13121511 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13289192 0.84 GSK3B (0.59) GSK3BCDK2CHEK1CCNE1
SCHEMBL14613380 0.84 GSK3B (0.57) GSK3BCDK2CHEK1CCNE1

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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