SCHEMBL6982705

SCHEMBL6982705

CS(=O)(=O)OCCCn1cc(-c2c(C#N)[nH]c(=O)n2-c2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 9/20 0.41
PRKACG P22612 9/20 0.41
PRKACB P22694 9/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK4 P11802 3/20 0.40
CCND1 P24385 3/20 0.40
CCNB2 O95067 3/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNB3 Q8WWL7 3/20 0.40
GSK3B P49841 2/20 0.40
CDK2 P24941 2/20 0.40
PRKD1 Q15139 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
PRKD3 O94806 1/20 0.40
CCNE2 O96020 1/20 0.40
TP53 P04637 1/20 0.40
PRKCG P05129 1/20 0.40

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
SCHEMBL6981937 0.85 CAMK2D (0.56) PRKACAPRKACGPRKACBRPS6KB1CDK4
SCHEMBL6982388 0.85 PRKACA (0.56) PRKACAPRKACGPRKACBRPS6KB1CDK4
SCHEMBL7835441 0.85 PRKACA (0.44) PRKACAPRKACGPRKACBRPS6KB1CDK4
SCHEMBL6979319 0.84 CAMK2D (0.52) PRKACAPRKACGPRKACBRPS6KB1CDK4
SCHEMBL6980064 0.84 PRKACA (0.52) PRKACAPRKACGPRKACBRPS6KB1CDK4
SCHEMBL6984020 0.82 CDK4 (0.48) PRKACAPRKACGPRKACBRPS6KB1CDK4
SCHEMBL6979903 0.81 CCNT1 (0.45) PRKACAPRKACGPRKACBRPS6KB1CDK4
SCHEMBL6982166 0.79 PRKCB (0.51) PRKACAPRKACGPRKACBRPS6KB1CDK4
SCHEMBL6976742 0.79 PRKACA (0.43) PRKACAPRKACGPRKACBRPS6KB1CDK4
Trifluoroacetic Acid SCHEMBL6985276 0.79 CAMK2D (0.49) PRKACAPRKACGPRKACBRPS6KB1CDK4

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