SCHEMBL13120045

SCHEMBL13120045

CC(Oc1ccccc1)C(=O)NCCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.55
▸ CDK2 P24941 7/20 0.54
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CCNE1 P24864 1/20 0.38

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
SCHEMBL13120125 0.98 GSK3B (0.55) GSK3BCDK2MAPTALDH1A1GAA
SCHEMBL13120256 0.95 GSK3B (0.57) GSK3BCDK2MAPTALDH1A1GAA
SCHEMBL13288688 0.89 MAPT (0.45) GSK3BCDK2MAPTALDH1A1GAA
SCHEMBL13119471 0.88 CDK2 (0.64) GSK3BCDK2KDM4ECCNA2CCNA1
SCHEMBL13120026 0.88 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120380 0.88 GSK3B (0.53) GSK3BCDK2MAPTKDM4EPOLB
SCHEMBL13119359 0.87 CDK2 (0.60) GSK3BCDK2KDM4ECCNA2CCNA1
SCHEMBL13120042 0.86 CDK2 (0.56) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120105 0.86 GSK3B (0.57) GSK3BCDK2CCNA2CCNA1CCNE1
SCHEMBL13120057 0.86 CDK2 (0.58) GSK3BCDK2CCNA2CCNA1CCNE1

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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