SCHEMBL13354599

SCHEMBL13354599

O=C(O)c1cnc(Nc2ccccc2)cc1N[C@@H]1[C@@H]2CC3C[C@H]1C[C@@](O)(C3)C2

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.58
HSD11B1 P28845 7/20 0.47
JAK3 P52333 9/20 0.46
JAK2 O60674 6/20 0.46
JAK1 P23458 5/20 0.46
TYK2 P29597 5/20 0.46
IDH1 O75874 1/20 0.44

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
SCHEMBL2421279 1.00 IRAK4 (0.58) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL2342123 1.00 IRAK4 (0.58) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL2421280 1.00 IRAK4 (0.58) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL12322005 0.92 JAK3 (0.56) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL2342508 0.92 JAK3 (0.56) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL2342512 0.92 JAK3 (0.56) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL12321546 0.92 JAK3 (0.56) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL2342502 0.92 JAK3 (0.56) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL12321531 0.90 IRAK4 (0.57) IRAK4HSD11B1JAK3JAK2JAK1
SCHEMBL2344922 0.83 IRAK4 (0.58) IRAK4HSD11B1JAK3JAK2JAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010058846-A1 4,6-DIAMINONICOTINAMIDE COMPOUND アステラス製薬株式会社 (JP) 2010-05-27 WO disclosed