SCHEMBL13119485

SCHEMBL13119485

CC(=O)Nc1ccc(C(=O)NCc2ccc(CNc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.64
▸ GSK3B P49841 6/20 0.59
▸ CCNE1 P24864 5/20 0.46
▸ CCNA2 P20248 1/20 0.44
▸ CCNA1 P78396 1/20 0.44
▸ CDK9 P50750 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ NR1H4 Q96RI1 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
SCHEMBL13119377 0.95 CDK2 (0.60) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119600 0.94 CDK2 (0.72) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119487 0.92 CDK2 (0.62) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119461 0.90 CDK2 (0.70) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119521 0.90 CDK2 (0.73) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119574 0.90 CDK2 (0.61) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL14561755 0.90 GSK3B (0.56) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119557 0.90 CDK2 (0.67) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119603 0.89 CDK2 (0.69) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119502 0.89 CDK2 (0.68) CDK2GSK3BCCNE1CCNA2CCNA1

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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