SCHEMBL13120185

SCHEMBL13120185

COC(=O)c1cccc(C(=O)NCCCCNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 8/20 0.55
▸ CDK2 P24941 8/20 0.54
▸ BRD4 O60885 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ CCNE1 P24864 2/20 0.38
▸ KDM5B Q9UGL1 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37

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
SCHEMBL13120325 0.95 GSK3B (0.56) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120108 0.92 GSK3B (0.55) GSK3BCDK2DRD2DRD4
SCHEMBL13120110 0.91 CDK2 (0.58) GSK3BCDK2BRD4CCNA2CCNA1
SCHEMBL13120029 0.90 GSK3B (0.55) GSK3BCDK2DRD2DRD4
SCHEMBL13120031 0.90 CDK2 (0.57) GSK3BCDK2BRD4CCNA2CCNA1
SCHEMBL13119489 0.88 CDK2 (0.64) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120244 0.88 GSK3B (0.56) GSK3BCDK2ALDH1A1DRD2DRD4
SCHEMBL13120429 0.88 GSK3B (0.51) GSK3BCDK2BRD4CCNA2CCNA1
SCHEMBL13119379 0.87 CDK2 (0.61) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120157 0.87 GSK3B (0.53) GSK3BCDK2BRD4

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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