SCHEMBL7835441

SCHEMBL7835441

N#Cc1[nH]c(=O)n(-c2c[nH]c3ccccc23)c1-c1cn(CCC[AsH2])c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 10/20 0.44
PRKACG P22612 10/20 0.44
PRKACB P22694 10/20 0.44
CAMK2D Q13557 7/20 0.44
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
RPS6KB1 P23443 1/20 0.43
CCNB2 O95067 3/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CCNB3 Q8WWL7 3/20 0.42
CDK2 P24941 2/20 0.42
GSK3B P49841 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
MEN1 O00255 1/20 0.42
PRKD3 O94806 1/20 0.42
CCNE2 O96020 1/20 0.42
TP53 P04637 1/20 0.42
PRKCG P05129 1/20 0.42
CYP1A2 P05177 1/20 0.42

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 0.91 CAMK2D (0.56) PRKACAPRKACGPRKACBCAMK2DCDK4
SCHEMBL6982388 0.91 PRKACA (0.56) PRKACAPRKACGPRKACBCAMK2DCDK4
SCHEMBL6979319 0.90 CAMK2D (0.52) PRKACAPRKACGPRKACBCAMK2DCDK4
SCHEMBL6980064 0.90 PRKACA (0.52) PRKACAPRKACGPRKACBCAMK2DCDK4
SCHEMBL6979903 0.88 CCNT1 (0.45) PRKACAPRKACGPRKACBCAMK2DCDK4
SCHEMBL6984020 0.85 CDK4 (0.48) PRKACAPRKACGPRKACBCAMK2DCDK4
SCHEMBL6982705 0.85 PRKACA (0.41) PRKACAPRKACGPRKACBCAMK2DCDK4
SCHEMBL6982166 0.84 PRKCB (0.51) PRKACAPRKACGPRKACBCAMK2DCDK4
SCHEMBL6976742 0.84 PRKACA (0.43) PRKACAPRKACGPRKACBCAMK2DCDK4
Trifluoroacetic Acid SCHEMBL6985276 0.84 CAMK2D (0.49) PRKACAPRKACGPRKACBCAMK2DCDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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