SCHEMBL12954499

SCHEMBL12954499

CN(CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12)S(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.60
▸ CDK2 P24941 10/20 0.58
▸ CCNA2 P20248 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ CCR6 P51684 1/20 0.40
▸ CCNE1 P24864 2/20 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
SCHEMBL13121302 0.92 GSK3B (0.59) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121385 0.91 GSK3B (0.56) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121345 0.91 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121383 0.91 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121407 0.91 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121394 0.90 GSK3B (0.66) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121364 0.90 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121307 0.90 GSK3B (0.56) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13121398 0.90 GSK3B (0.56) GSK3BCDK2CCNA2CCNA1KDM4E
SCHEMBL13289412 0.89 GSK3B (0.47) GSK3BCDK2CCNA2CCNA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8673924-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-18 — — US disclosed
US-8586576-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-19 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
US-8580782-B2 Substituted pyrazolo[1,5-a]pyrimidines as cyclin dependent kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-12 — — US disclosed
EP-1720882-B1 PYRAZOLOPYRIMIDINE-DERIVATIVES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2011-01-05 — — EP disclosed
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
US-7807683-B2 N-heteroaryl pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2010-10-05 — — US disclosed
WO-2007044449-A2 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORPORATION (US) 2007-04-19 — — WO disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7196078-B2 Trisubstituted and tetrasubstituted pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPOARTION (US) 2007-03-27 — — US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — US disclosed
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — US disclosed
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