SCHEMBL13309248

SCHEMBL13309248

NCCNS(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Br)cnn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.54
▸ CDK2 P24941 11/20 0.49
▸ CCNA2 P20248 2/20 0.47
▸ CCNA1 P78396 2/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ CCNE1 P24864 5/20 0.46
▸ CA12 O43570 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL13308745 0.91 GSK3B (0.54) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13308741 0.91 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13885115 0.89 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL11931064 0.89 GSK3B (0.55) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13885081 0.89 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13309321 0.89 CDK2 (0.42) GSK3BCDK2CCNE1CA12ABL1
SCHEMBL11931060 0.89 GSK3B (0.58) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL11931063 0.88 GSK3B (0.54) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL13885077 0.88 CDK2 (0.57) GSK3BCDK2CCNA2CCNA1CHEK1
SCHEMBL11931067 0.87 GSK3B (0.53) GSK3BCDK2CCNA2CCNA1CHEK1

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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