SCHEMBL13998539

SCHEMBL13998539

OC[C@H]1CCCC[C@H]1Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 16/20 0.46
▸ CDK2 P24941 6/20 0.43
▸ MAPKAPK2 P49137 1/20 0.42
▸ CCNE1 P24864 2/20 0.40
▸ BCL6 P41182 1/20 0.38

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
SCHEMBL13998510 1.00 GSK3B (0.46) GSK3BCDK2MAPKAPK2CCNE1BCL6
SCHEMBL14492474 0.89 BCL6 (0.38) GSK3BCDK2CCNE1BCL6
SCHEMBL14492491 0.87 TYK2 (0.38) BCL6
SCHEMBL11930863 0.86 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL11930871 0.86 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL12952925 0.86 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13998623 0.85 GSK3B (0.55) GSK3BCDK2MAPKAPK2
SCHEMBL12953634 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL11930864 0.84 GSK3B (0.65) GSK3BCDK2CCNE1
SCHEMBL13998536 0.84 GSK3B (0.54) GSK3BCDK2MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470695-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-30 — — US disclosed
US-7470695-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-30 — — US disclosed
EP-1534709-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-06-13 — — EP disclosed
WO-2007044401-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
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