SCHEMBL13309467

SCHEMBL13309467

O=S(=O)(NCCO)c1ccc(Nc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.67
▸ CDK2 P24941 10/20 0.54
▸ CCNA2 P20248 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ CA12 O43570 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ SYK P43405 1/20 0.38
▸ IKBKB O14920 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
SCHEMBL13309319 0.89 GSK3B (0.64) GSK3BCDK2CCNA2CCNA1SYK
SCHEMBL13308745 0.88 GSK3B (0.54) GSK3BCDK2CCNA2CCNA1CA12
SCHEMBL13308740 0.86 GSK3B (0.76) GSK3BCDK2CCNA2CCNA1
SCHEMBL13885032 0.85 GSK3B (0.79) GSK3BCDK2CCNA2CCNA1
SCHEMBL13885081 0.82 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1IKBKB
SCHEMBL13998502 0.81 GSK3B (0.87) GSK3BCDK2CCNA2CCNA1
SCHEMBL13309248 0.80 GSK3B (0.54) GSK3BCDK2CCNA2CCNA1CA12
SCHEMBL13893732 0.79 GSK3B (0.83) GSK3BCDK2CCNA2CCNA1
SCHEMBL13309122 0.79 CDK2 (0.50) GSK3BCDK2CCNA2CCNA1
SCHEMBL13885115 0.79 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934224-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHERING CORP (US) 2010-06-09 — — EP disclosed
US-7514442-B2 Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2009-04-07 — — US disclosed
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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