SCHEMBL13885182

SCHEMBL13885182

CS(=O)(=O)c1ccc(Nc2cc(C3CCNCC3)nc3c(Br)cnn23)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.58
▸ CDK2 P24941 8/20 0.50
▸ PLAT P00750 1/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ CHEK1 O14757 4/20 0.42
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ JAK3 P52333 2/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL13885060 0.90 GSK3B (0.60) GSK3BCDK2CDK1CHEK1CCNA2
SCHEMBL13885183 0.89 CHEK1 (0.56) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13116953 0.86 GSK3B (0.67) GSK3BCDK2PLATCDK1CHEK1
SCHEMBL13893782 0.85 GSK3B (0.57) GSK3BCDK2PLATCHEK1CCNA2
SCHEMBL13998492 0.85 GSK3B (0.64) GSK3BCDK2PLATCHEK1CCNA2
SCHEMBL13885701 0.79 CHEK1 (0.54) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13998541 0.79 GSK3B (0.71) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13885062 0.78 GSK3B (0.71) GSK3BCDK2CDK1
SCHEMBL14541404 0.78 GSK3B (0.65) GSK3BCDK2CDK1
SCHEMBL13885055 0.78 GSK3B (0.51) GSK3BCDK2JAK3JAK2

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
US-7514442-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-04-07 — — US disclosed
EP-1534712-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-05-16 — — EP disclosed
WO-2007044420-A1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7205308-B2 Trisubstituted 7-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-04-17 — — US disclosed
US-7205308-B2 Trisubstituted 7-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-04-17 — — US disclosed
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