SCHEMBL13998516

SCHEMBL13998516

OCc1cnn2c(Nc3cccnc3)cc(-c3ccccc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.57
▸ CDK2 P24941 9/20 0.52
▸ CCNE1 P24864 7/20 0.52
▸ AHR P35869 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ GSK3A P49840 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL14492460 0.90 GSK3B (0.52) GSK3BCDK2CCNE1AHRALDH1A1
SCHEMBL13998499 0.89 GSK3B (0.71) GSK3BCDK2CCNE1AHRALDH1A1
SCHEMBL14492442 0.87 GSK3B (0.57) GSK3BCDK2CCNE1AHRALDH1A1
SCHEMBL13998482 0.83 GSK3B (0.68) GSK3BCDK2CCNE1
SCHEMBL12953527 0.83 GSK3B (0.81) GSK3BCDK2CCNE1
SCHEMBL29644975 0.83 GSK3B (0.81) GSK3BCDK2CCNE1
SCHEMBL13998500 0.80 AHR (0.50) GSK3BCDK2CCNE1AHRALDH1A1
SCHEMBL13998498 0.80 GSK3B (0.48) GSK3BCDK2CCNE1AHRALDH1A1
SCHEMBL12953132 0.79 CDK2 (0.72) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12953349 0.76 ALDH1A1 (0.50) GSK3BCDK2CCNE1AHRALDH1A1

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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