SCHEMBL13119397

SCHEMBL13119397

O=C(NCc1cccc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)c1)c1ccccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 13/20 0.65
▸ GSK3B P49841 6/20 0.64
▸ CCNE1 P24864 7/20 0.52
▸ CCNA2 P20248 1/20 0.48
▸ CCNA1 P78396 1/20 0.48
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 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
SCHEMBL13119500 0.95 CDK2 (0.69) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119340 0.94 CDK2 (0.68) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119365 0.92 CDK2 (0.66) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119665 0.91 CDK2 (0.62) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119410 0.91 CDK2 (0.62) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119398 0.91 CDK2 (0.64) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119417 0.91 CDK2 (0.68) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119394 0.90 CDK2 (0.69) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119411 0.89 CDK2 (0.59) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL13119457 0.89 CDK2 (0.73) 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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