SCHEMBL13288743

SCHEMBL13288743

O=C(NCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12)c1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 12/20 0.67
▸ GSK3B P49841 9/20 0.67
▸ CCNE1 P24864 6/20 0.49

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
SCHEMBL13120200 0.95 CDK2 (0.65) CDK2GSK3BCCNE1
SCHEMBL14545261 0.90 CDK2 (0.53) CDK2GSK3B
SCHEMBL13120246 0.89 CDK2 (0.58) CDK2GSK3BCCNE1
SCHEMBL13120264 0.88 CDK2 (0.60) CDK2GSK3BCCNE1
SCHEMBL13120284 0.88 CDK2 (0.60) CDK2GSK3BCCNE1
SCHEMBL15381303 0.87 CDK2 (0.57) CDK2GSK3BCCNE1
SCHEMBL13120201 0.87 CDK2 (0.66) CDK2GSK3BCCNE1
SCHEMBL13120297 0.87 CDK2 (0.58) CDK2GSK3BCCNE1
SCHEMBL13120304 0.87 CDK2 (0.58) CDK2GSK3BCCNE1
SCHEMBL13120263 0.86 CDK2 (0.62) CDK2GSK3BCCNE1

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 10 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-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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