SCHEMBL7845205

SCHEMBL7845205

O=C1NC(=O)C(c2cn(CCCCCn3ccnc3)c3ccccc23)=C1Nc1ccccc1

nearest known ligand 0.94

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 6/20 0.94
PRKCA P17252 6/20 0.94
PRKCE Q02156 5/20 0.94
JAK2 O60674 1/20 0.94
JAK1 P23458 1/20 0.94
TYK2 P29597 1/20 0.94
JAK3 P52333 1/20 0.94
GSK3B P49841 10/20 0.72
QPCT Q16769 9/20 0.72
IDH1 O75874 5/20 0.72

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
SCHEMBL7841474 0.97 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL29525929 0.97 PRKCB (1.00) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7842255 0.93 PRKCB (0.89) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7831887 0.91 JAK2 (0.88) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7843484 0.91 JAK2 (0.88) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7846087 0.91 JAK2 (0.88) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7841423 0.90 PRKCB (0.79) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7846144 0.89 JAK2 (0.84) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7845267 0.89 JAK2 (0.84) PRKCBPRKCAPRKCEJAK2JAK1
SCHEMBL7840928 0.88 PRKCB (0.82) 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 3 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
WO-2013029043-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2013-02-28 WO disclosed
EP-1120414-A1 DISUBSTITUTED MALEIMIDE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF JAPAN TOBACCO INC. (JP) 2001-08-01 EP disclosed