SCHEMBL7846087

SCHEMBL7846087

O=C1NC(=O)C(c2cn(CCCn3ccnc3)c3ccccc23)=C1Nc1ccc(F)cc1

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.88
PRKCB P05771 1/20 0.88
PRKCA P17252 1/20 0.88
JAK1 P23458 1/20 0.88
TYK2 P29597 1/20 0.88
JAK3 P52333 1/20 0.88
PRKCE Q02156 1/20 0.88
GSK3B P49841 12/20 0.79
QPCT Q16769 10/20 0.79
IDH1 O75874 8/20 0.69

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
SCHEMBL29525929 0.94 PRKCB (1.00) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7841474 0.94 PRKCB (1.00) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7831887 0.91 JAK2 (0.88) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7843484 0.91 JAK2 (0.88) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7845205 0.91 PRKCB (0.94) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7846144 0.91 JAK2 (0.84) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7845267 0.89 JAK2 (0.84) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7842255 0.88 PRKCB (0.89) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7840928 0.86 PRKCB (0.82) JAK2PRKCBPRKCAJAK1TYK2
SCHEMBL7841423 0.84 PRKCB (0.79) JAK2PRKCBPRKCAJAK1TYK2

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