SCHEMBL2054196

SCHEMBL2054196

CC(=O)n1ccc(N2CCCC[C@@H]2Nc2ccnc(-c3cnc4ccc(F)cn34)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 15/20 0.42
▸ ADORA2A P29274 2/20 0.38
▸ JAK2 O60674 3/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ JAK3 P52333 3/20 0.37

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
SCHEMBL2054198 0.85 EIF2AK4 (0.54) EIF2AK4
SCHEMBL2054199 0.85 EIF2AK4 (0.54) EIF2AK4
SCHEMBL2053987 0.73 JAK2 (0.35) EIF2AK4JAK2JAK1JAK3
SCHEMBL1992515 0.73 EIF2AK4 (0.51) EIF2AK4
SCHEMBL1992517 0.73 EIF2AK4 (0.51) EIF2AK4
SCHEMBL1997654 0.72 EIF2AK4 (0.50) EIF2AK4
SCHEMBL2000293 0.72 EIF2AK4 (0.47) EIF2AK4
SCHEMBL2000295 0.72 EIF2AK4 (0.47) EIF2AK4
SCHEMBL1997593 0.71 EIF2AK4 (0.47) EIF2AK4
SCHEMBL12616674 0.71 EIF2AK4 (0.47) EIF2AK4

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
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