SCHEMBL13885152

SCHEMBL13885152

CS(=O)(=O)c1ccc(Nc2cc(NC3CCCCC3)nc3c(Br)cnn23)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 18/20 0.67
▸ GSK3B P49841 13/20 0.67
▸ CDK1 P06493 2/20 0.56
▸ MAPKAPK2 P49137 1/20 0.53
▸ CHEK1 O14757 2/20 0.48
▸ PTGS2 P35354 1/20 0.47
▸ CCNE1 P24864 1/20 0.47
▸ FLT3 P36888 1/20 0.47

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
SCHEMBL14427515 0.90 CDK2 (0.82) CDK2GSK3BCDK1MAPKAPK2CHEK1
SCHEMBL13885674 0.90 CDK2 (0.66) CDK2GSK3BCDK1MAPKAPK2CHEK1
SCHEMBL13885060 0.85 GSK3B (0.60) CDK2GSK3BCDK1MAPKAPK2CHEK1
SCHEMBL13309212 0.85 CDK2 (0.58) CDK2GSK3BMAPKAPK2CHEK1CCNE1
SCHEMBL13885181 0.85 CDK2 (0.54) CDK2GSK3BCDK1MAPKAPK2CHEK1
SCHEMBL11931070 0.85 CDK2 (0.54) CDK2GSK3BCDK1MAPKAPK2CHEK1
SCHEMBL14427488 0.81 CDK2 (1.00) CDK2GSK3BCDK1MAPKAPK2CHEK1
SCHEMBL14427362 0.81 CDK2 (1.00) CDK2GSK3BCDK1MAPKAPK2CHEK1
SCHEMBL14367581 0.80 CDK2 (0.84) CDK2GSK3BCDK1CHEK1PTGS2
SCHEMBL14427533 0.80 CDK2 (0.65) CDK2GSK3BMAPKAPK2CCNE1FLT3

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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