SCHEMBL6980982

SCHEMBL6980982

N#Cc1[nH]c(=O)n(-c2c[nH]c3ccccc23)c1-c1cn(Cc2cccc(CN)c2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 5/20 0.39
PRKACG P22612 5/20 0.39
PRKACB P22694 5/20 0.39
CAMK2D Q13557 2/20 0.39
RPS6KB1 P23443 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
TSHR P16473 2/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34

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 SCHEMBL6984982 0.93 TPSAB1 (0.40) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL6974638 0.85 PRKCB (0.40) CAMK2DMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL7008945 0.85 PRKACA (0.43) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL6980064 0.85 PRKACA (0.52) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL6981937 0.84 CAMK2D (0.56) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL7811931 0.84 CAMK2D (0.40) CAMK2DRPS6KB1MEN1KMT2ASMN1; SMN2
SCHEMBL6979319 0.83 CAMK2D (0.52) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL7835441 0.81 PRKACA (0.44) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
SCHEMBL6982388 0.81 PRKACA (0.56) PRKACAPRKACGPRKACBCAMK2DRPS6KB1
Trifluoroacetic Acid SCHEMBL6981001 0.80 TPSAB1 (0.41) CAMK2DSIRT2PRKCBPRKCAPIM1

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