SCHEMBL13308740

SCHEMBL13308740

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

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.76
▸ CDK2 P24941 12/20 0.56
▸ CCNA2 P20248 1/20 0.54
▸ CCNA1 P78396 1/20 0.54
▸ MAPKAPK2 P49137 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CCNE1 P24864 1/20 0.36

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
SCHEMBL13885032 0.90 GSK3B (0.79) GSK3BCDK2CCNA2CCNA1MAPKAPK2
SCHEMBL13309119 0.88 GSK3B (0.58) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13309467 0.86 GSK3B (0.67) GSK3BCDK2CCNA2CCNA1
SCHEMBL11931057 0.86 GSK3B (0.61) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL12953482 0.86 GSK3B (0.77) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13893732 0.85 GSK3B (0.83) GSK3BCDK2CCNA2CCNA1MAPKAPK2
SCHEMBL13998502 0.84 GSK3B (0.87) GSK3BCDK2CCNA2CCNA1MAPKAPK2
SCHEMBL13309319 0.82 GSK3B (0.64) GSK3BCDK2CCNA2CCNA1
SCHEMBL14543183 0.81 GSK3B (0.67) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13998461 0.80 GSK3B (0.82) GSK3BCDK2CCNA2CCNA1CCNE1

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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