SCHEMBL2038127

SCHEMBL2038127

CCS(=O)(=O)CN1CCCC(N(C)c2ccnc(-c3cnc4ccc(C#N)cn34)n2)C1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EIF2AK4 Q9P2K8 12/20 0.46
JAK2 O60674 7/20 0.40
JAK3 P52333 7/20 0.40
JAK1 P23458 3/20 0.40
ADORA2A P29274 1/20 0.38

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
SCHEMBL12615148 0.84 EIF2AK4 (0.42) EIF2AK4JAK2JAK3JAK1ADORA2A
SCHEMBL1994131 0.82 JAK2 (0.43) EIF2AK4JAK2JAK3JAK1ADORA2A
SCHEMBL1995220 0.79 EIF2AK4 (0.47) EIF2AK4ADORA2A
SCHEMBL1995218 0.79 EIF2AK4 (0.47) EIF2AK4ADORA2A
SCHEMBL1992451 0.79 IRAK4 (0.51) EIF2AK4JAK2JAK3JAK1
SCHEMBL1992453 0.79 IRAK4 (0.51) EIF2AK4JAK2JAK3JAK1
SCHEMBL1997122 0.79 EIF2AK4 (0.48) EIF2AK4JAK2JAK3JAK1
SCHEMBL12644109 0.79 EIF2AK4 (0.48) EIF2AK4JAK2JAK3JAK1
SCHEMBL15198128 0.79 EIF2AK4 (0.48) EIF2AK4JAK2JAK3JAK1
SCHEMBL1998947 0.75 JAK2 (0.38) EIF2AK4JAK2JAK3JAK1ADORA2A

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