SCHEMBL14545802

SCHEMBL14545802

CCC(c1cc(NCc2cnc(C)nc2)n2ncc(Br)c2n1)C1CCC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.51
▸ GSK3B P49841 14/20 0.48
▸ CCNE1 P24864 1/20 0.37

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
SCHEMBL14043286 0.84 GSK3B (0.70) CDK2GSK3BCCNE1
SCHEMBL14560144 0.82 CDK2 (0.56) CDK2GSK3BCCNE1
SCHEMBL14043174 0.80 CDK2 (0.52) CDK2GSK3B
SCHEMBL12953334 0.76 CCNT1 (0.37) CDK2GSK3BCCNE1
SCHEMBL12954201 0.75 GSK3B (0.53) CDK2GSK3BCCNE1
SCHEMBL13288589 0.74 CCNT1 (0.37) CDK2GSK3BCCNE1
SCHEMBL12954087 0.72 GSK3B (0.49) CDK2GSK3BCCNE1
SCHEMBL13146301 0.72 GSK3B (0.49) CDK2GSK3BCCNE1
SCHEMBL13118130 0.71 CDK2 (0.69) CDK2GSK3BCCNE1
SCHEMBL13288598 0.69 CDK2 (0.50) CDK2GSK3BCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
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