SCHEMBL25263124

SCHEMBL25263124

NC(=O)c1cnc(Nc2cccc(N)c2)cc1NCc1cc(F)cc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.64
IRAK4 Q9NWZ3 7/20 0.64
JAK2 O60674 4/20 0.64
JAK1 P23458 4/20 0.64
TYK2 P29597 3/20 0.64
CSF1R P07333 1/20 0.55
BTK Q06187 1/20 0.55
AURKA O14965 2/20 0.47
RPS6KB1 P23443 1/20 0.47
AURKB Q96GD4 1/20 0.47
STAT3 P40763 1/20 0.46
STAT6 P42226 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK1A Q13627 1/20 0.42
LMNA P02545 1/20 0.42
CDC7 O00311 1/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42
CDK2 P24941 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
SCHEMBL13074514 0.93 JAK3 (0.66) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12301740 0.89 JAK3 (0.80) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12301513 0.89 JAK3 (0.63) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2476310 0.88 JAK3 (0.65) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12321394 0.86 JAK3 (0.60) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12321922 0.86 JAK3 (0.60) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2480603 0.85 JAK3 (0.59) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12301515 0.85 JAK3 (0.59) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL12301734 0.85 JAK3 (0.64) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2485607 0.84 JAK3 (0.76) JAK3IRAK4JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023100918-A1 NOVEL NICOTINAMIDE COMPOUND AND USE THEREFOR 興和株式会社 2023-06-08 WO disclosed
WO-2023100918-A1 NOVEL NICOTINAMIDE COMPOUND AND USE THEREFOR 興和株式会社 2023-06-08 WO disclosed