SCHEMBL14041981

SCHEMBL14041981

Cc1c(Nc2cccc(S(N)(=O)=O)c2)nc(Nc2ccc3c(c2)N(C)C(=O)C(C)(C)O3)nc1Nc1cccc(S(N)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.57
JAK1 P23458 11/20 0.57
BRD4 O60885 1/20 0.52
SYK P43405 4/20 0.49
PIK3CD O00329 2/20 0.45
PIK3C2G O75747 2/20 0.45
PIK3CG P48736 2/20 0.45
AURKA O14965 2/20 0.45
DCLK1 O15075 2/20 0.45
AURKB Q96GD4 2/20 0.45
LRRK2 Q5S007 1/20 0.45
PDE5A O76074 2/20 0.43
CDC7 O00311 1/20 0.42
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
PDPK1 O15530 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 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
SCHEMBL1474449 0.96 BRD4 (0.59) JAK3JAK1BRD4SYKPIK3CD
SCHEMBL1476506 0.94 JAK3 (0.53) JAK3JAK1BRD4SYKPIK3CD
SCHEMBL12638706 0.90 JAK3 (0.48) JAK3JAK1BRD4SYKPIK3CD
SCHEMBL1474404 0.90 JAK3 (0.72) JAK3JAK1BRD4SYKPIK3CD
SCHEMBL1475146 0.88 BRD4 (0.52) JAK3JAK1BRD4SYKPIK3CD
SCHEMBL17669875 0.87 JAK1 (0.59) JAK3JAK1SYKPIK3CDPIK3C2G
SCHEMBL1475319 0.85 JAK3 (0.47) JAK3JAK1SYKPIK3CDPIK3C2G
SCHEMBL12638686 0.83 JAK3 (0.47) JAK3JAK1BRD4SYKPIK3CD
SCHEMBL1475290 0.82 JAK3 (0.62) JAK3JAK1SYKPIK3CDPIK3C2G
SCHEMBL1474895 0.81 STK4 (0.50) JAK3JAK1SYKPIK3CDPIK3C2G

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-2008118822-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2008-10-02 WO disclosed