SCHEMBL13288862

SCHEMBL13288862

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4cc(O)cc(Cl)c4)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.53
▸ CHEK1 O14757 1/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ NAMPT P43490 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 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
SCHEMBL12953928 0.91 GSK3B (0.55) GSK3BCHEK1CDK2NAMPTTSHR
SCHEMBL13289011 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL13289097 0.89 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289101 0.88 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL12954475 0.88 GSK3B (0.58) GSK3BCHEK1NAMPTTSHRLMNA
SCHEMBL13289405 0.87 GSK3B (0.57) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13288938 0.87 GSK3B (0.55) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13120555 0.86 GSK3B (0.71) GSK3BCDK2CCNE1
SCHEMBL13289104 0.86 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL14545841 0.86 GSK3B (0.56) GSK3BCHEK1NAMPTLMNA

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
Send feedback