SCHEMBL2933488

SCHEMBL2933488

CC(c1ccc(-c2cc(OC(N)=O)c(NC(N)=O)s2)cc1)N1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.45
CDK2AP1 O14519 2/20 0.41
ACHE P22303 1/20 0.40
IKBKB O14920 2/20 0.39
MEN1 O00255 1/20 0.38
JAK2 O60674 1/20 0.38
EIF2AK2 P19525 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL2928533 0.90 CHEK1 (0.42) CHEK1IKBKBMEN1JAK2EIF2AK2
SCHEMBL2933263 0.90 CHEK1 (0.42) CHEK1IKBKBMEN1JAK2EIF2AK2
SCHEMBL1926569 0.84 CHEK1 (0.64) CHEK1IKBKBMEN1JAK2EIF2AK2
SCHEMBL2933445 0.79 CHEK1 (0.72) CHEK1IKBKBMEN1KMT2A
SCHEMBL2930060 0.78 CHEK1 (0.70) CHEK1IKBKBMEN1JAK2EIF2AK2
SCHEMBL1928818 0.74 IKBKB (0.55) CHEK1IKBKBMEN1JAK2EIF2AK2
SCHEMBL1928820 0.74 IKBKB (0.55) CHEK1IKBKBMEN1JAK2EIF2AK2
SCHEMBL1928275 0.74 IKBKB (0.55) CHEK1IKBKBMEN1JAK2EIF2AK2
SCHEMBL2933039 0.73 CHEK1 (0.73) CHEK1IKBKBHDAC6
SCHEMBL2928699 0.72 CHEK1 (0.59) CHEK1IKBKBMEN1JAK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP claimed