SCHEMBL12954102

SCHEMBL12954102

Clc1ccccc1-c1cc(NCCc2ccccc2)n2ncc(Br)c2n1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.71
▸ GSK3B P49841 10/20 0.70
▸ CCNE1 P24864 2/20 0.51
▸ CCNA2 P20248 1/20 0.51
▸ CCNA1 P78396 1/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL12953449 0.94 CDK2 (0.81) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13122666 0.94 CDK2 (0.68) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12953676 0.91 GSK3B (0.82) CDK2GSK3BCCNE1
SCHEMBL13121881 0.91 CDK2 (0.62) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13121822 0.89 CDK2 (0.60) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13120242 0.89 CDK2 (0.62) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL14418893 0.87 CDK2 (0.54) CDK2GSK3BCCNA2CCNA1MEN1
SCHEMBL13305640 0.87 CDK2 (0.54) CDK2GSK3BMEN1KMT2A
SCHEMBL12953603 0.87 CDK2 (0.70) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL12953835 0.87 GSK3B (0.73) CDK2GSK3BCCNE1CCNA2CCNA1

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
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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