SCHEMBL13120004

SCHEMBL13120004

O=C(CC1CC1)NCCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.57
▸ GSK3B P49841 10/20 0.56
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ VCP P55072 1/20 0.39
▸ CCNE1 P24864 3/20 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
SCHEMBL13120085 0.98 CDK2 (0.57) CDK2GSK3BCCNA2CCNA1VCP
SCHEMBL13120024 0.96 CDK2 (0.54) CDK2GSK3BCCNA2CCNA1
SCHEMBL13120206 0.95 CDK2 (0.58) CDK2GSK3BCCNA2CCNA1VCP
SCHEMBL13120103 0.94 CDK2 (0.54) CDK2GSK3BCCNA2CCNA1
SCHEMBL13120240 0.91 CDK2 (0.56) CDK2GSK3BCCNA2CCNA1
SCHEMBL13120008 0.89 CDK2 (0.59) CDK2GSK3BCCNA2CCNA1
SCHEMBL13288684 0.88 CDK2 (0.44) CDK2GSK3BVCP
SCHEMBL13119421 0.87 CDK2 (0.68) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120007 0.87 CDK2 (0.58) CDK2GSK3BCCNA2CCNA1
SCHEMBL13120087 0.87 CDK2 (0.59) CDK2GSK3BCCNA2CCNA1

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-8747809-B2 Single diastereomers of 4-fluoroglutamine and methods of their preparation and use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-06-10 — — 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-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
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
EP-2194058-A1 Pyrazolopyrimidines suitable for the treatment of cancer diseases SCHERING CORPORATION (US) 2010-06-09 — — EP 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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