SCHEMBL6977921

SCHEMBL6977921

Cn1cc(-n2c(-c3cn(Cc4cccc(CN)n4)c4ccccc34)c[nH]c2=O)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.42
CAMK2D Q13557 2/20 0.42
RPS6KB1 P23443 1/20 0.37
PRKCA P17252 3/20 0.37
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
PRKCB P05771 2/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL7007072 0.80 PRKCA (0.45) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL8079796 0.79 PIM1 (0.65) PIM1CAMK2DPRKCAPRKACAPRKACG
Hydrochloric Acid SCHEMBL8319144 0.78 PIM1 (0.64) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL7007161 0.77 CAMK2D (0.57) PIM1CAMK2DRPS6KB1PRKCAPRKACA
Acetic Acid SCHEMBL7005590 0.77 PRKCB (0.44) PIM1CAMK2DPRKCAPRKCBPRKCH
SCHEMBL7005430 0.72 CAMK2D (0.59) PIM1CAMK2DRPS6KB1PRKACAPRKACG
Trifluoroacetic Acid SCHEMBL7007891 0.71 CAMK2D (0.49) PIM1CAMK2DRPS6KB1PRKCAPRKACA
SCHEMBL7826748 0.71 PRKCA (0.46) PIM1CAMK2DPRKCAPRKACAPRKACG
SCHEMBL7826749 0.70 CAMK2D (0.40) PIM1CAMK2DPRKACAPRKACGPRKACB
SCHEMBL7005539 0.70 CDK4 (0.55) PIM1CAMK2DRPS6KB1PRKCAPRKACA

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 5 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 claimed
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP claimed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO claimed
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