SCHEMBL12953329

SCHEMBL12953329

O[n+]1cccc(CNc2cc(-c3ccc(Cl)cc3Cl)nc3c(Br)cnn23)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.58
▸ GSK3B P49841 8/20 0.58
▸ CCNA2 P20248 1/20 0.57
▸ CCNA1 P78396 1/20 0.57
▸ CCNE1 P24864 6/20 0.49

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
SCHEMBL14545801 0.91 CDK2 (0.71) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12953841 0.89 CDK2 (0.72) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14301219 0.84 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12953840 0.83 GSK3B (0.82) CDK2GSK3BCCNE1
SCHEMBL13288385 0.81 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12952846 0.81 GSK3B (0.70) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12953203 0.80 CDK2 (0.80) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13304925 0.79 CDK2 (0.57) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13122670 0.78 CDK2 (0.78) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12952907 0.78 CDK2 (0.68) CDK2GSK3BCCNA2CCNA1CCNE1

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 5 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
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
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — US disclosed
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