SCHEMBL12953789

SCHEMBL12953789

CO[n+]1cccc(CNc2cc(Cl)nc3c(C4CC4)cnn23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.42
▸ CDK9 P50750 5/20 0.42
▸ CDK5 Q00535 5/20 0.42
▸ CDK1 P06493 5/20 0.42
▸ GSK3B P49841 7/20 0.41
▸ CDK7 P50613 4/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CCNH P51946 3/20 0.41
▸ MNAT1 P51948 3/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ TAOK1 Q7L7X3 2/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ CCNT1 O60563 1/20 0.41
▸ CCNT2 O60583 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CCNK O75909 1/20 0.41
▸ CCNB2 O95067 1/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CDK4 P11802 1/20 0.41

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
SCHEMBL12954018 0.87 CDK2 (0.52) CDK2CDK9CDK5CDK1GSK3B
SCHEMBL12953783 0.85 GSK3B (0.48) CDK2CDK9CDK5CDK1GSK3B
SCHEMBL12953081 0.85 GSK3B (0.52) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12952987 0.82 CDK2 (0.46) CDK2CDK9CDK5CDK1GSK3B
SCHEMBL22413208 0.80 KCNN3 (0.58) CDK2CDK1GSK3BCDK7CCNE1
SCHEMBL12953719 0.79 CDK2 (0.69) CDK2CDK9CDK5CDK1GSK3B
SCHEMBL22413144 0.79 KCNN3 (0.48) CDK2GSK3BCCNT1KCNN3KCNN1
SCHEMBL30872083 0.77 KCNN3 (0.49) CDK2CDK1GSK3BCDK7CCNE1
SCHEMBL26696756 0.77 KCNN3 (0.64) GSK3BKCNN3KCNN1KCNN2MEN1
SCHEMBL13288356 0.77 GSK3B (0.52) CDK2GSK3BCCNA2CCNA1

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
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
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