SCHEMBL6975188

SCHEMBL6975188

CN(C)CCCn1cc(-c2c(C#N)[nH]c(=O)n2-c2cn(C)c3ccccc23)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 9/20 0.57
PRKACA P17612 3/20 0.57
PRKACG P22612 3/20 0.57
PRKACB P22694 3/20 0.57
PIM1 P11309 3/20 0.57
PRKCB P05771 8/20 0.48
PRKCH P24723 3/20 0.48
PRKCQ Q04759 3/20 0.48
PRKCD Q05655 3/20 0.48
PRKCE Q02156 7/20 0.46
CCNB2 O95067 3/20 0.46
CDK1 P06493 3/20 0.46
CCNB1 P14635 3/20 0.46
CCNB3 Q8WWL7 3/20 0.46
GSK3B P49841 2/20 0.46
MEN1 O00255 1/20 0.46
PRKD3 O94806 1/20 0.46
CCNE2 O96020 1/20 0.46
TP53 P04637 1/20 0.46
PRKCG P05129 1/20 0.46

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
Trifluoroacetic Acid SCHEMBL6984346 0.93 PRKCA (0.50) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL6977406 0.89 CAMK2D (0.56) PRKACAPRKACGPRKACBPIM1CCNT1
SCHEMBL6981727 0.89 CCNT1 (0.53) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL6983101 0.89 CCNT1 (0.44) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL6975973 0.88 CAMK2D (0.53) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL6983267 0.87 CCNE2 (0.45) PIM1GSK3BCCNE2MAPTCDK4
SCHEMBL6980550 0.87 PRKACA (0.46) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL7670227 0.86 PIM1 (0.43) PRKCAPRKACAPRKACGPRKACBPIM1
Dimethylamine SCHEMBL6976140 0.86 CCNT1 (0.41) PRKCAPRKACAPRKACGPRKACBPIM1
SCHEMBL6979590 0.85 CCNT1 (0.42) PRKCAPRKACAPRKACGPRKACBPIM1

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 claimed
US-6346625-B1 ENZYME INHIBITORS FOR PROTEIN KINASES ASTRAZENECA AB (SE) 2002-02-12 US 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