SCHEMBL14545240

SCHEMBL14545240

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccccc4N)CC3)nc12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.56
▸ CHEK1 O14757 1/20 0.44
▸ CDK2 P24941 8/20 0.42
▸ CCNE1 P24864 4/20 0.42
▸ NAMPT P43490 1/20 0.40

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
SCHEMBL13289104 0.92 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289108 0.91 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289103 0.91 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289368 0.91 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL13288939 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289097 0.89 GSK3B (0.59) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL14545257 0.89 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289099 0.89 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL14613310 0.88 GSK3B (0.53) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289366 0.87 GSK3B (0.55) 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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
Send feedback