SCHEMBL7841762

SCHEMBL7841762

O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1Nc1cccc(Cl)c1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 13/20 0.80
PRKCA P17252 12/20 0.80
PRKCE Q02156 9/20 0.80
JAK2 O60674 1/20 0.57
JAK1 P23458 1/20 0.57
TYK2 P29597 1/20 0.57
JAK3 P52333 1/20 0.57
CDK4 P11802 1/20 0.56
PRKACA P17612 1/20 0.56
PRKACG P22612 1/20 0.56
PRKACB P22694 1/20 0.56
CCND1 P24385 1/20 0.56
GSK3B P49841 3/20 0.54
STK10 O94804 1/20 0.54
SLK Q9H2G2 1/20 0.54
KDR P35968 1/20 0.54
FLT3 P36888 1/20 0.54

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
SCHEMBL7842285 0.89 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7838393 0.89 PRKCB (0.76) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7838411 0.89 PRKCB (0.80) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841721 0.88 PRKCA (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7845203 0.86 PRKCB (0.67) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7842615 0.86 PRKCB (0.94) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7831266 0.86 PRKCB (0.66) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841274 0.85 PRKCB (0.68) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841534 0.84 PRKCB (0.72) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7832574 0.84 PRKCB (0.72) PRKCBPRKCAPRKCEJAK2JAK1

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-1120414-A1 DISUBSTITUTED MALEIMIDE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF JAPAN TOBACCO INC. (JP) 2001-08-01 EP claimed
EP-1120414-A1 DISUBSTITUTED MALEIMIDE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF JAPAN TOBACCO INC. (JP) 2001-08-01 EP disclosed