SCHEMBL6983870

SCHEMBL6983870

Cn1cc(-c2c(C#N)n(C(=O)OC(C)(C)C)c(=O)n2-c2cn(C(=O)OCC(Cl)(Cl)Cl)c3ccccc23)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCD Q05655 1/20 0.35
ACHE P22303 1/20 0.35
PIM1 P11309 1/20 0.33
MARK3 P27448 1/20 0.33
MAP4K2 Q12851 1/20 0.33
CAMK2B Q13554 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PDE10A Q9Y233 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
ATM Q13315 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL7013228 0.81 PIM1 (0.42) L3MBTL1GSK3BPRKCGPRKCBPRKCA
SCHEMBL6977867 0.81 ATM (0.35) GSK3BPRKCAPIM1ATMCCNT1
SCHEMBL6980500 0.79 CCNT1 (0.41) GSK3BPRKCGPRKCBPRKCAPRKCH
SCHEMBL6982735 0.79 CCNT1 (0.41) GSK3BPRKCGPRKCBPRKCAPRKCH
SCHEMBL7010209 0.74 PIM1 (0.37) GSK3BPRKCGPRKCBPRKCAPRKCH
SCHEMBL7008865 0.63 PIM1 (0.40) L3MBTL1GSK3BPIM1CCNT1CDK9
SCHEMBL31186267 0.63 L3MBTL1 (0.55) L3MBTL1ACHEPIM1MARK3MAP4K2
SCHEMBL6983267 0.61 CCNE2 (0.45) GSK3BPIM1CCNT1CDK9
SCHEMBL7014052 0.61 CCNT1 (0.41) GSK3BPRKCGPRKCBPRKCAPRKCH
SCHEMBL7822210 0.61 CAMK2D (0.34) L3MBTL1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095039-B1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-27 EP disclosed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US disclosed
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed