SCHEMBL13998533

SCHEMBL13998533

Brc1cnn2c(Nc3ccncc3)cc(-c3ccoc3)nc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.51
▸ CDK2 P24941 12/20 0.50
▸ CCNE1 P24864 5/20 0.44
▸ CHEK1 O14757 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13998487 0.89 GSK3B (0.52) GSK3BCDK2CCNE1
SCHEMBL13309220 0.87 GSK3B (0.47) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13885051 0.84 GSK3B (0.65) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13998466 0.83 CDK2 (0.69) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL13998534 0.80 GSK3B (0.65) GSK3BCDK2CCNE1HSD17B10
SCHEMBL12952885 0.78 GSK3B (0.76) GSK3BCDK2CCNE1
SCHEMBL13998471 0.77 GSK3B (0.48) GSK3BCDK2CCNE1MAPT
SCHEMBL13993126 0.77 CDK2 (0.67) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL12953407 0.77 CDK2 (0.46) GSK3BCDK2CCNE1CHEK1CCNA2
SCHEMBL14043298 0.77 CDK2 (0.46) 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 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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