SCHEMBL13120106

SCHEMBL13120106

O=C(CCc1ccccc1)NCCCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.60
▸ GSK3B P49841 8/20 0.60
▸ CCNA2 P20248 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ CCNE1 P24864 3/20 0.44
▸ TBK1 Q9UHD2 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL13120027 0.98 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120242 0.95 CDK2 (0.62) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120102 0.92 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13121822 0.91 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120015 0.90 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13288841 0.90 GSK3B (0.47) CDK2GSK3BHPGD
SCHEMBL13122666 0.89 CDK2 (0.68) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120181 0.88 CDK2 (0.58) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL15576829 0.88 CDK2 (0.58) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119456 0.88 CDK2 (0.70) CDK2GSK3BCCNA2CCNA1CCNE1

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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