SCHEMBL13120220

SCHEMBL13120220

CSCC(=O)NCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 11/20 0.61
▸ CDK2 P24941 10/20 0.59
▸ CCNA2 P20248 1/20 0.42
▸ CCNA1 P78396 1/20 0.42
▸ CCNE1 P24864 3/20 0.40

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
SCHEMBL13120088 0.95 GSK3B (0.59) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120009 0.95 GSK3B (0.59) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120258 0.89 CDK2 (0.58) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13288740 0.89 GSK3B (0.46) GSK3BCDK2
SCHEMBL13119422 0.89 CDK2 (0.69) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13119268 0.87 CDK2 (0.65) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120223 0.86 GSK3B (0.60) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120231 0.86 GSK3B (0.60) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120234 0.86 CDK2 (0.63) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120270 0.85 CDK2 (0.59) GSK3BCDK2CCNA2CCNA1CCNE1

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 11 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
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
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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