SCHEMBL12953622

SCHEMBL12953622

COBNCCCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.65
▸ CDK2 P24941 9/20 0.60
▸ CCNA2 P20248 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ CCNE1 P24864 1/20 0.42

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
SCHEMBL12953533 0.98 GSK3B (0.65) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12954189 0.94 GSK3B (0.64) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953982 0.88 GSK3B (0.72) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13122637 0.87 GSK3B (0.67) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953582 0.86 GSK3B (0.72) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12954177 0.86 CDK2 (0.73) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12953632 0.86 GSK3B (0.58) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14572818 0.85 GSK3B (0.68) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL14572802 0.85 GSK3B (0.71) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL12954181 0.85 GSK3B (0.59) GSK3BCDK2CCNA2CCNA1CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP disclosed
WO-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
WO-2008130569-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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