SCHEMBL13120647

SCHEMBL13120647

COc1ccc(OC)c(S(=O)(=O)NCc2cccc(CNc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.57
▸ GSK3B P49841 7/20 0.57
▸ ALDH1A1 P00352 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ CCNE1 P24864 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
SCHEMBL13288964 0.91 ALDH1A1 (0.48) CDK2GSK3BALDH1A1SMN1; SMN2RAB9A
SCHEMBL13120639 0.90 CDK2 (0.60) CDK2GSK3BALDH1A1CCNA2CCNA1
SCHEMBL13120635 0.89 CDK2 (0.59) CDK2GSK3BALDH1A1CCNA2CCNA1
SCHEMBL13121286 0.89 GSK3B (0.53) CDK2GSK3BALDH1A1SMN1; SMN2KMT2A
SCHEMBL13120746 0.88 CDK2 (0.59) CDK2GSK3BSMN1; SMN2CCNA2CCNA1
SCHEMBL13120649 0.88 CDK2 (0.58) CDK2GSK3BSMN1; SMN2CCNA2CCNA1
SCHEMBL13121162 0.88 GSK3B (0.52) CDK2GSK3BALDH1A1SMN1; SMN2KMT2A
SCHEMBL13121086 0.88 GSK3B (0.52) CDK2GSK3BALDH1A1SMN1; SMN2KMT2A
SCHEMBL13120640 0.87 CDK2 (0.67) CDK2GSK3BCCNA2CCNA1CCNE1
SCHEMBL13120623 0.86 CDK2 (0.63) 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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