SCHEMBL12953540

SCHEMBL12953540

COBNc1cccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)c1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 11/20 0.68
▸ GSK3B P49841 10/20 0.68
▸ CCNA2 P20248 1/20 0.49
▸ CCNA1 P78396 1/20 0.49
▸ CCNE1 P24864 3/20 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
SCHEMBL12954192 0.91 CDK2 (0.70) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12953627 0.90 GSK3B (0.70) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13305588 0.88 CDK2 (0.72) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL12954177 0.86 CDK2 (0.73) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13289265 0.86 CDK2 (0.72) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13122665 0.85 CDK2 (0.71) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13117976 0.84 CDK2 (0.67) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13122670 0.84 CDK2 (0.78) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14598810 0.83 CDK2 (0.66) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13121757 0.82 CDK2 (0.60) 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 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
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 — — EP disclosed
WO-2008130570-A1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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