SCHEMBL13120285

SCHEMBL13120285

CSc1ccc(C(=O)NCCNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.57
▸ CDK2 P24941 11/20 0.56
▸ CCNE1 P24864 4/20 0.41
▸ CCNA2 P20248 1/20 0.40
▸ CCNA1 P78396 1/20 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
SCHEMBL13120154 0.95 GSK3B (0.55) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120079 0.95 GSK3B (0.55) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120284 0.90 CDK2 (0.60) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13119474 0.89 CDK2 (0.65) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120304 0.89 CDK2 (0.58) GSK3BCDK2CCNE1
SCHEMBL13120278 0.88 GSK3B (0.57) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13119363 0.88 CDK2 (0.61) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL14561755 0.87 GSK3B (0.56) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120302 0.87 CDK2 (0.57) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL13120297 0.87 CDK2 (0.58) GSK3BCDK2CCNE1CCNA2CCNA1

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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