SCHEMBL13120086

SCHEMBL13120086

CC(=O)Nc1ccc(C(=O)NCCCNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 7/20 0.55
▸ CDK2 P24941 9/20 0.54
▸ JAK2 O60674 1/20 0.42
▸ BRD4 O60885 2/20 0.40
▸ CCNE1 P24864 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ HTT P42858 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
SCHEMBL13120159 0.98 GSK3B (0.55) GSK3BCDK2JAK2BRD4CCNE1
SCHEMBL14561755 0.95 GSK3B (0.56) GSK3BCDK2CCNE1SMN1; SMN2KDM4E
SCHEMBL13120082 0.92 GSK3B (0.53) GSK3BCDK2JAK2BRD4NPC1
SCHEMBL13120157 0.91 GSK3B (0.53) GSK3BCDK2JAK2BRD4NPC1
SCHEMBL13120075 0.90 CDK2 (0.58) GSK3BCDK2BRD4CCNE1KMT2A
SCHEMBL13288943 0.89 BRD4 (0.44) GSK3BCDK2JAK2BRD4SMN1; SMN2
SCHEMBL13120083 0.88 CDK2 (0.57) GSK3BCDK2CCNE1
SCHEMBL13120150 0.88 CDK2 (0.58) GSK3BCDK2BRD4CCNE1KMT2A
SCHEMBL13119485 0.88 CDK2 (0.64) GSK3BCDK2CCNE1ALDH1A1CCNA2
SCHEMBL13120073 0.88 GSK3B (0.55) GSK3BCDK2BRD4CCNE1NPC1

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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