SCHEMBL7842615

SCHEMBL7842615

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

nearest known ligand 0.94

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 12/20 0.94
PRKCA P17252 12/20 0.94
PRKCE Q02156 9/20 0.94
JAK2 O60674 1/20 0.68
JAK1 P23458 1/20 0.68
TYK2 P29597 1/20 0.68
JAK3 P52333 1/20 0.68
GSK3B P49841 2/20 0.65
CDK4 P11802 1/20 0.60
PRKACA P17612 1/20 0.60
PRKACG P22612 1/20 0.60
PRKACB P22694 1/20 0.60
CCND1 P24385 1/20 0.60
CCNT1 O60563 1/20 0.55
CCNA2 P20248 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55

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 0.97 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7840914 0.92 PRKCB (0.87) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7845445 0.88 PRKCB (0.84) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7830883 0.88 PRKCB (0.80) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7843214 0.86 PRKCA (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841762 0.86 PRKCB (0.80) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7838411 0.86 PRKCB (0.80) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7830800 0.85 PRKCA (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841465 0.85 PRKCB (0.96) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7839539 0.84 PRKCB (1.00) 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