SCHEMBL2931228

SCHEMBL2931228

C[C@@H]1CN(Cc2ccc(-c3cc(OC(N)=O)c(NC(N)=O)s3)cc2)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.51
IKBKB O14920 1/20 0.43
MAP3K7 O43318 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
GRM2 Q14416 1/20 0.40
MAPK8 P45983 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1929265 0.85 CHEK1 (0.70) CHEK1IKBKBJAK2HDAC6MAPK8
SCHEMBL1929263 0.85 CHEK1 (0.70) CHEK1IKBKBJAK2HDAC6MAPK8
SCHEMBL2926992 0.85 MAP3K7 (0.49) CHEK1IKBKBMAP3K7JAK2JAK1
SCHEMBL2930060 0.84 CHEK1 (0.70) CHEK1IKBKBMAP3K7JAK2HDAC6
SCHEMBL2934362 0.83 CHEK1 (0.58) CHEK1IKBKBMAP3K7JAK2NPC1
SCHEMBL2933039 0.83 CHEK1 (0.73) CHEK1IKBKBMAP3K7HDAC6
SCHEMBL2933445 0.83 CHEK1 (0.72) CHEK1IKBKBMAP3K7KDM4EALDH1A1
SCHEMBL2933338 0.83 CHEK1 (0.52) CHEK1IKBKBMAP3K7JAK1
SCHEMBL2932566 0.82 CHEK1 (0.57) CHEK1IKBKBMAP3K7JAK2JAK1
SCHEMBL2928699 0.82 CHEK1 (0.59) CHEK1IKBKBMAP3K7JAK2JAK1

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