SCHEMBL13289104

SCHEMBL13289104

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccccc4Cl)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.56
▸ CDK2 P24941 6/20 0.48
▸ CHEK1 O14757 1/20 0.44
▸ CCNE1 P24864 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL13288939 0.95 GSK3B (0.56) GSK3BCDK2CHEK1CCNE1NAMPT
SCHEMBL13288938 0.92 GSK3B (0.55) GSK3BCDK2CHEK1CCNE1LMNA
SCHEMBL14607248 0.92 GSK3B (0.53) GSK3BCDK2CHEK1CCNE1LMNA
SCHEMBL13289108 0.92 GSK3B (0.56) GSK3BCDK2CHEK1CCNE1NAMPT
SCHEMBL13289368 0.92 GSK3B (0.56) GSK3BCDK2CHEK1CCNE1
SCHEMBL14545240 0.92 GSK3B (0.56) GSK3BCDK2CHEK1CCNE1NAMPT
SCHEMBL13289103 0.92 GSK3B (0.56) GSK3BCDK2CHEK1CCNE1LMNA
SCHEMBL13289405 0.91 GSK3B (0.57) GSK3BCDK2CHEK1CCNE1NAMPT
SCHEMBL14545840 0.91 GSK3B (0.53) GSK3BCDK2CHEK1CCNE1LMNA
SCHEMBL13289013 0.91 GSK3B (0.55) GSK3BCDK2CHEK1CCNE1LMNA

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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