SCHEMBL7840928

SCHEMBL7840928

O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1Nc1cccc(Cl)c1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 2/20 0.82
PRKCA P17252 2/20 0.82
PRKCE Q02156 2/20 0.82
JAK2 O60674 1/20 0.82
JAK1 P23458 1/20 0.82
TYK2 P29597 1/20 0.82
JAK3 P52333 1/20 0.82
IDH1 O75874 7/20 0.66
GSK3B P49841 12/20 0.65
QPCT Q16769 10/20 0.65

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
SCHEMBL7841423 0.98 PRKCB (0.79) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7843484 0.91 JAK2 (0.88) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL29525929 0.90 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841474 0.90 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7845205 0.88 PRKCB (0.94) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7832574 0.87 PRKCB (0.72) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7831887 0.86 JAK2 (0.88) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7846087 0.86 JAK2 (0.88) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841534 0.85 PRKCB (0.72) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7845024 0.85 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