SCHEMBL2035513

SCHEMBL2035513

CC(C)(C)CNc1nc(-c2cnc3ccc(C#N)cn23)ncc1N1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.42
JAK3 P52333 9/20 0.42
JAK1 P23458 5/20 0.42
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
CYP3A4 P08684 1/20 0.41
IGF1R P08069 1/20 0.39
EIF2AK4 Q9P2K8 3/20 0.38
EIF4E P06730 1/20 0.38
FLT3 P36888 1/20 0.37
CTSK P43235 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL1996069 0.91 EIF2AK4 (0.45) JAK2JAK3JAK1MKNK1MKNK2
SCHEMBL1997090 0.89 JAK2 (0.40) JAK2JAK3JAK1MKNK1MKNK2
SCHEMBL1995485 0.87 IRAK4 (0.42) JAK2JAK3JAK1MKNK1MKNK2
SCHEMBL1994136 0.79 JAK2 (0.42) JAK2JAK3JAK1MKNK1MKNK2
SCHEMBL12613453 0.75 HRH4 (0.40) EIF2AK4FLT3
SCHEMBL1996606 0.75 JAK2 (0.40) JAK2JAK3JAK1EIF2AK4FLT3
SCHEMBL12615023 0.75 USP1 (0.43) JAK2JAK3JAK1CYP3A4FLT3
SCHEMBL2033850 0.73 EIF2AK4 (0.54) EIF2AK4
SCHEMBL1997645 0.73 EIF2AK4 (0.45) JAK2JAK3JAK1EIF2AK4FLT3
SCHEMBL1999723 0.72 PRMT5 (0.41) JAK2JAK3JAK1MKNK1MKNK2

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