SCHEMBL13119345

SCHEMBL13119345

O=C(NCc1cccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)c1)[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 14/20 0.61
▸ GSK3B P49841 7/20 0.61
▸ CCNA2 P20248 1/20 0.46
▸ CCNA1 P78396 1/20 0.46
▸ CCNE1 P24864 6/20 0.46

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
SCHEMBL15576816 1.00 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119466 0.96 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL14598761 0.96 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119651 0.93 CDK2 (0.57) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119558 0.89 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL15381299 0.89 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120252 0.89 CDK2 (0.55) CDK2GSK3B
SCHEMBL13119264 0.89 CDK2 (0.67) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13146948 0.88 CDK2 (0.55) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120122 0.87 CDK2 (0.54) CDK2GSK3B

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
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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