SCHEMBL14545257

SCHEMBL14545257

Bc1cnn2c(NCc3cccnc3)cc(C3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.53
▸ KMT2A Q03164 3/20 0.44
▸ CHEK1 O14757 1/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ CCNE1 P24864 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NAMPT P43490 2/20 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
SCHEMBL13120518 0.91 GSK3B (0.67) GSK3BCDK2CCNE1
SCHEMBL13289103 0.90 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1LMNA
SCHEMBL13289104 0.89 GSK3B (0.56) GSK3BKMT2ACHEK1CDK2CCNE1
SCHEMBL13289108 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289368 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1
SCHEMBL14545240 0.89 GSK3B (0.56) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL14607249 0.88 GSK3B (0.55) GSK3BCHEK1CDK2LMNANAMPT
SCHEMBL12953927 0.88 GSK3B (0.51) GSK3BCHEK1CDK2CCNE1NAMPT
SCHEMBL13289015 0.87 GSK3B (0.54) GSK3BCHEK1CDK2NAMPT
SCHEMBL13288939 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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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