SCHEMBL13308741

SCHEMBL13308741

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.57
▸ CDK2 P24941 5/20 0.49
▸ CCNE1 P24864 1/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CLK1 P49759 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
SCHEMBL11931060 0.93 GSK3B (0.58) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL11931064 0.91 GSK3B (0.55) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13308745 0.91 GSK3B (0.54) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13309248 0.91 GSK3B (0.54) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL11931063 0.90 GSK3B (0.54) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13885081 0.89 GSK3B (0.53) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13885115 0.89 GSK3B (0.53) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL11931067 0.89 GSK3B (0.53) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13885077 0.88 CDK2 (0.57) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13885069 0.88 GSK3B (0.52) GSK3BCDK2CCNE1CHEK1CCNA2

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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