SCHEMBL13120107

SCHEMBL13120107

COc1ccccc1C(=O)NCCCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.55
▸ CDK2 P24941 4/20 0.54
▸ BRD4 O60885 7/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NAMPT P43490 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL13120028 0.98 GSK3B (0.55) GSK3BCDK2BRD4L3MBTL1ALDH1A1
SCHEMBL13120243 0.95 GSK3B (0.57) GSK3BCDK2L3MBTL1ALDH1A1
SCHEMBL13120109 0.91 CDK2 (0.60) GSK3BCDK2BRD4ALDH1A1
SCHEMBL13288948 0.90 BRD4 (0.45) GSK3BCDK2BRD4L3MBTL1NAMPT
SCHEMBL13120030 0.89 CDK2 (0.60) GSK3BCDK2BRD4ALDH1A1
SCHEMBL13120062 0.89 GSK3B (0.55) GSK3BCDK2L3MBTL1ALDH1A1
SCHEMBL13120145 0.88 CDK2 (0.58) GSK3BCDK2NAMPT
SCHEMBL13121815 0.88 GSK3B (0.55) GSK3BCDK2L3MBTL1ALDH1A1
SCHEMBL13119451 0.88 CDK2 (0.65) GSK3BCDK2ALDH1A1
SCHEMBL13120135 0.87 CDK2 (0.57) GSK3BCDK2BRD4

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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