SCHEMBL13305571

SCHEMBL13305571

Cc1cnn2c(NCc3cccnc3)cc(N[C@H]3CC[C@H](N)CC3)nc12

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 3/20 0.60
▸ GSK3B P49841 15/20 0.56
▸ CDK2 P24941 2/20 0.47
▸ CCNE1 P24864 1/20 0.45

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
SCHEMBL14597901 0.89 GSK3B (0.69) MAPKAPK2GSK3BCDK2CCNE1
SCHEMBL12952892 0.89 GSK3B (0.69) MAPKAPK2GSK3BCDK2CCNE1
SCHEMBL14545791 0.85 GSK3B (0.56) GSK3BCDK2CCNE1
SCHEMBL14545868 0.83 GSK3B (0.58) GSK3BCDK2CCNE1
SCHEMBL12953647 0.83 GSK3B (0.76) GSK3BCDK2CCNE1
SCHEMBL13305360 0.81 GSK3B (0.54) GSK3BCDK2CCNE1
SCHEMBL14545919 0.81 GSK3B (0.54) GSK3BCDK2CCNE1
SCHEMBL14546032 0.81 GSK3B (0.56) GSK3BCDK2CCNE1
SCHEMBL14545295 0.80 GSK3B (0.61) GSK3BCDK2CCNE1
SCHEMBL14545811 0.80 GSK3B (0.52) GSK3BCDK2CCNE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
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