SCHEMBL13885060

SCHEMBL13885060

CS(=O)(=O)c1ccc(Nc2cc(C3CCCCC3)nc3c(Br)cnn23)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 15/20 0.60
▸ CDK2 P24941 12/20 0.51
▸ CDK1 P06493 2/20 0.44
▸ PIK3CA P42336 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ CHEK1 O14757 2/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CCNE2 O96020 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ MAPKAPK2 P49137 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
SCHEMBL13885182 0.90 GSK3B (0.58) GSK3BCDK2CDK1CHEK1CCNA2
SCHEMBL13885183 0.89 CHEK1 (0.56) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13885152 0.85 CDK2 (0.67) GSK3BCDK2CDK1CHEK1CCNE1
SCHEMBL13885062 0.80 GSK3B (0.71) GSK3BCDK2CDK1CCNE2CCNE1
SCHEMBL14541404 0.80 GSK3B (0.65) GSK3BCDK2CDK1MAPKAPK2
SCHEMBL14541541 0.80 GSK3B (0.60) GSK3BCDK2CDK1PIK3CAPRKDC
SCHEMBL13885055 0.80 GSK3B (0.51) GSK3BCDK2
SCHEMBL13885057 0.79 GSK3B (0.49) GSK3BCDK2CHEK1
SCHEMBL13885701 0.79 CHEK1 (0.54) GSK3BCDK2CHEK1CCNA2CCNA1
SCHEMBL13998535 0.78 GSK3B (0.70) GSK3BCDK2CHEK1CCNA2CCNA1

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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