SCHEMBL13354531

SCHEMBL13354531

CN1CCN(c2ccc(Nc3cc(N[C@@H]4C5CC6C[C@H]4CC(O)(C6)C5)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.53
SYK P43405 3/20 0.49
CSF1R P07333 2/20 0.46
JAK3 P52333 9/20 0.46
JAK1 P23458 5/20 0.46
JAK2 O60674 4/20 0.46
TYK2 P29597 3/20 0.46
HSD11B1 P28845 3/20 0.44
STAT6 P42226 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL12322696 0.91 IRAK4 (0.52) IRAK4SYKJAK3JAK1JAK2
SCHEMBL2344922 0.85 IRAK4 (0.58) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL12322689 0.85 IRAK4 (0.58) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL2344938 0.85 IRAK4 (0.58) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL2344933 0.85 IRAK4 (0.58) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL12321401 0.84 IRAK4 (0.57) IRAK4JAK3JAK1JAK2TYK2
SCHEMBL12321546 0.84 JAK3 (0.56) IRAK4CSF1RJAK3JAK1JAK2
SCHEMBL12322005 0.84 JAK3 (0.56) IRAK4CSF1RJAK3JAK1JAK2
SCHEMBL2342512 0.84 JAK3 (0.56) IRAK4CSF1RJAK3JAK1JAK2
SCHEMBL2342508 0.84 JAK3 (0.56) IRAK4CSF1RJAK3JAK1JAK2

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