SCHEMBL13998480

SCHEMBL13998480

Brc1cnn2c(Nc3ccncc3)cc(CC3CCCCC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 12/20 0.46
▸ CDK2 P24941 9/20 0.40
▸ MAPKAPK2 P49137 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL13998473 0.90 GSK3B (0.52) GSK3BCDK2HTR6
SCHEMBL12953771 0.85 GSK3B (0.58) GSK3BCDK2
SCHEMBL13998522 0.83 CDK4 (0.46) GSK3BCDK2MAPKAPK2HTR6
SCHEMBL12954010 0.80 GSK3B (0.73) GSK3BCDK2
SCHEMBL12953384 0.77 GSK3B (0.40) GSK3BCDK2MAPKAPK2HTR6
SCHEMBL12953377 0.74 GSK3B (0.49) GSK3BCDK2
SCHEMBL14492482 0.74 GSK3B (0.47) GSK3BCDK2
SCHEMBL13998584 0.74 GSK3B (0.50) GSK3BCDK2MAPKAPK2
SCHEMBL13998492 0.72 GSK3B (0.64) GSK3BCDK2MAPKAPK2
SCHEMBL13304754 0.72 GSK3B (0.44) GSK3BCDK2MAPKAPK2HTR6

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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