SCHEMBL13998518

SCHEMBL13998518

COc1ccc(-c2cc(Nc3cccnc3)n3ncc(Br)c3n2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CDK2 P24941 9/20 0.50
▸ CCNE1 P24864 8/20 0.50
▸ GSK3B P49841 8/20 0.49
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13998471 0.90 GSK3B (0.48) MAPTMEN1KMT2ACDK2CCNE1
SCHEMBL13998513 0.85 GSK3B (0.59) CDK2CCNE1GSK3B
SCHEMBL12952864 0.84 CDK2 (0.73) CDK2CCNE1GSK3B
SCHEMBL13998482 0.83 GSK3B (0.68) CDK2CCNE1GSK3B
SCHEMBL12952889 0.79 CDK2 (0.69) CDK2CCNE1GSK3B
SCHEMBL13998487 0.79 GSK3B (0.52) CDK2CCNE1GSK3B
SCHEMBL13998463 0.78 GSK3B (0.52) CDK2CCNE1GSK3B
SCHEMBL13998528 0.78 GSK3B (0.62) CDK2CCNE1GSK3B
SCHEMBL12953753 0.78 KDM4E (0.48) MAPTMEN1KMT2ACDK2GSK3B
SCHEMBL14547287 0.77 GSK3B (0.45) CDK2CCNE1GSK3B

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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