SCHEMBL13120682

SCHEMBL13120682

COc1cccc(S(=O)(=O)NCc2ccc(CNc3cc(-c4ccccc4Cl)nc4c(Br)cnn34)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 0.62
▸ GSK3B P49841 8/20 0.57
▸ CCNA2 P20248 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 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
SCHEMBL13120635 0.96 CDK2 (0.59) CDK2GSK3BCCNA2CCNA1MAPT
SCHEMBL13120722 0.92 CDK2 (0.61) CDK2GSK3BCCNA2CCNA1
SCHEMBL13120683 0.92 CDK2 (0.64) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13121210 0.90 GSK3B (0.55) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13120667 0.90 CDK2 (0.65) CDK2GSK3BCCNA2CCNA1
SCHEMBL13120686 0.90 CDK2 (0.67) CDK2GSK3BCCNA2CCNA1SMN1; SMN2
SCHEMBL13120639 0.89 CDK2 (0.60) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13121142 0.89 GSK3B (0.55) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13121065 0.89 GSK3B (0.55) CDK2GSK3BCCNA2CCNA1ALDH1A1
SCHEMBL13120774 0.89 CDK2 (0.57) CDK2GSK3BCCNA2CCNA1GAA

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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