SCHEMBL2037145

SCHEMBL2037145

N#Cc1ccc2ncc(-c3nccc(NCC4CCCCN4C(=O)O)n3)n2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
JAK2 O60674 9/20 0.41
JAK3 P52333 9/20 0.41
JAK1 P23458 5/20 0.41
EIF2AK4 Q9P2K8 5/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
IRAK1 P51617 1/20 0.40
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
CYP2D6 P10635 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL1997864 0.94 ADORA2A (0.45) ADORA2AJAK2JAK3JAK1EIF2AK4
SCHEMBL1991798 0.90 ADORA2A (0.44) ADORA2AJAK2JAK3JAK1EIF2AK4
SCHEMBL1993894 0.83 IRAK4 (0.46) JAK2JAK3JAK1EIF2AK4IRAK4
SCHEMBL12616583 0.81 EIF2AK4 (0.40) EIF2AK4IRAK4KIT
SCHEMBL1998010 0.80 IRAK4 (0.49) JAK2JAK3JAK1EIF2AK4IRAK4
SCHEMBL1994795 0.79 EIF2AK4 (0.42) ADORA2AJAK2JAK3JAK1EIF2AK4
SCHEMBL1997370 0.79 EIF2AK4 (0.42) ADORA2AJAK2JAK3JAK1EIF2AK4
SCHEMBL1994913 0.78 ADORA2A (0.41) ADORA2AJAK2JAK3JAK1EIF2AK4
SCHEMBL12643880 0.78 EIF2AK4 (0.47) EIF2AK4
SCHEMBL13505191 0.77 IRAK4 (0.50) JAK2JAK3JAK1EIF2AK4IRAK4

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
EP-2516436-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS Almirall S.A. (ES) 2012-10-31 EP disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed