SCHEMBL7840914

SCHEMBL7840914

O=C1NC(=O)C(c2cn(CCO)c3ccccc23)=C1Nc1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 12/20 0.87
PRKCA P17252 12/20 0.87
PRKCE Q02156 9/20 0.87
GSK3B P49841 2/20 0.69
JAK2 O60674 1/20 0.66
JAK1 P23458 1/20 0.66
TYK2 P29597 1/20 0.66
JAK3 P52333 1/20 0.66
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
CDK4 P11802 1/20 0.54
PRKACA P17612 1/20 0.54
PRKACG P22612 1/20 0.54
PRKACB P22694 1/20 0.54
CCND1 P24385 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 0.93 PRKCB (1.00) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7842615 0.92 PRKCB (0.94) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7845445 0.89 PRKCB (0.84) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7830883 0.86 PRKCB (0.80) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL14522482 0.86 GSK3B (0.69) PRKCBPRKCAPRKCEGSK3BKDR
SCHEMBL7842250 0.85 PRKCA (1.00) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7838400 0.84 PRKCB (0.70) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7844530 0.84 PRKCB (0.70) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7830800 0.84 PRKCA (1.00) PRKCBPRKCAPRKCEGSK3BJAK2
SCHEMBL7843214 0.83 PRKCA (1.00) PRKCBPRKCAPRKCEGSK3BJAK2

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