SCHEMBL1998947

SCHEMBL1998947

CN(c1ccnc(-c2cnc3ccc(C#N)cn23)n1)[C@@H]1CCCN(C(=O)CC#N)C1.N#CCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.38
JAK3 P52333 11/20 0.38
JAK1 P23458 6/20 0.38
EIF2AK4 Q9P2K8 6/20 0.38
GSK3B P49841 1/20 0.37
TYK2 P29597 2/20 0.37
KCNH2 Q12809 1/20 0.37
ADORA2A P29274 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35

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
SCHEMBL1994131 0.91 JAK2 (0.43) JAK2JAK3JAK1EIF2AK4GSK3B
SCHEMBL12615148 0.84 EIF2AK4 (0.42) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL1992012 0.83 JAK2 (0.45) JAK2JAK3JAK1EIF2AK4GSK3B
SCHEMBL1992013 0.83 JAK2 (0.45) JAK2JAK3JAK1EIF2AK4GSK3B
SCHEMBL1995218 0.80 EIF2AK4 (0.47) EIF2AK4ADORA2AMKNK1MKNK2
SCHEMBL1995220 0.80 EIF2AK4 (0.47) EIF2AK4ADORA2AMKNK1MKNK2
SCHEMBL2038127 0.75 EIF2AK4 (0.46) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL1996140 0.75 EIF2AK4 (0.42) JAK2JAK3JAK1EIF2AK4ADORA2A
SCHEMBL12643885 0.74 EIF2AK4 (0.45) EIF2AK4
SCHEMBL1992612 0.74 FLT3 (0.53) JAK2JAK3JAK1

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
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 EP disclosed