SCHEMBL13119376

SCHEMBL13119376

CC(=O)Nc1cccc(C(=O)NCc2cccc(CNc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.59
▸ GSK3B P49841 6/20 0.59
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ CCNE1 P24864 5/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.41

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
SCHEMBL13119487 0.96 CDK2 (0.62) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119686 0.95 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119377 0.93 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119574 0.91 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119417 0.90 CDK2 (0.68) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120292 0.89 GSK3B (0.55) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13119337 0.89 CDK2 (0.65) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119485 0.88 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13119416 0.88 CDK2 (0.70) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120157 0.88 GSK3B (0.53) CDK2GSK3BCSNK2A1

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-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
Send feedback