SCHEMBL7548032

SCHEMBL7548032

Cc1[nH]c(=O)n(-c2c[nH]c3ccccc23)c1-c1cn(CCCN)c2ccccc12.N=C(N)SCCCn1cc(-c2c[nH]c(=O)n2-c2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 4/20 0.48
PRKCA P17252 4/20 0.48
PRKCE Q02156 4/20 0.48
MEN1 O00255 3/20 0.48
TP53 P04637 3/20 0.48
CYP3A4 P08684 3/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 3/20 0.48
MAPK1 P28482 3/20 0.48
RECQL P46063 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
SIRT2 Q8IXJ6 3/20 0.48
SIRT1 Q96EB6 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
PRKD3 O94806 3/20 0.48
PRKCG P05129 3/20 0.48
PRKCH P24723 3/20 0.48
PRKCI P41743 3/20 0.48
PRKCQ Q04759 3/20 0.48

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
SCHEMBL7005333 0.89 PRKCB (0.56) PRKCBPRKCAPRKCEMEN1TP53
Acetic Acid SCHEMBL7014928 0.87 PRKCB (0.54) PRKCBPRKCAPRKCEMEN1TP53
SCHEMBL7012175 0.87 RPS6KB1 (0.59) PRKCBPRKCAPRKCEMEN1TP53
SCHEMBL6982166 0.82 PRKCB (0.51) PRKCBPRKCAPRKCEMEN1TP53
SCHEMBL7007889 0.82 CAMK2D (0.62) PRKCBPRKCAPRKCEMEN1TP53
Trifluoroacetic Acid SCHEMBL6984632 0.77 PRKCB (0.46) PRKCBPRKCAPRKCEMEN1TP53
Trifluoroacetic Acid SCHEMBL7011017 0.77 CAMK2D (0.54) PRKCBPRKCAPRKCEMEN1TP53
SCHEMBL7009039 0.75 PRKACA (0.62) PRKCBPRKCAPRKCEMEN1TP53
SCHEMBL6981937 0.75 CAMK2D (0.56) PRKCBPRKCAPRKCEMEN1TP53
SCHEMBL7004902 0.75 CAMK2D (0.56) PRKCBPRKCAPRKCEMEN1TP53

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-1192150-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000078750-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-12-28 WO disclosed