SCHEMBL13998534

SCHEMBL13998534

Brc1cnn2c(Nc3ccncc3)cc(-c3ccco3)nc12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.65
▸ CDK2 P24941 9/20 0.47
▸ CCNE1 P24864 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL13998503 0.90 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL13885054 0.84 GSK3B (0.67) GSK3BCDK2KDM4ETDP1LMNA
SCHEMBL13998466 0.81 CDK2 (0.69) GSK3BCDK2CCNE1ALDH1A1
SCHEMBL13998533 0.80 GSK3B (0.51) GSK3BCDK2CCNE1HSD17B10
SCHEMBL12952870 0.79 GSK3B (1.00) GSK3BCDK2CCNE1
SCHEMBL13998502 0.77 GSK3B (0.87) GSK3BCDK2CCNE1
SCHEMBL13998505 0.77 GSK3B (0.73) GSK3BCDK2CCNE1
SCHEMBL12953212 0.77 GSK3B (0.58) GSK3BCDK2KDM4ETDP1MEN1
SCHEMBL14043300 0.77 GSK3B (0.55) GSK3BCDK2KDM4ETDP1MEN1
SCHEMBL13993127 0.77 CHEK1 (0.63) GSK3BCDK2KDM4ETDP1MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470695-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-30 — — US disclosed
US-7470695-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2008-12-30 — — US disclosed
EP-1534709-B1 PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-06-13 — — EP disclosed
WO-2007044401-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
US-7196092-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-03-27 — — US disclosed
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