SCHEMBL12611615

SCHEMBL12611615

N#Cc1ccc(N2CCC[C@@H](Nc3ccnc(-c4cnc5ccc(N)cn45)n3)C2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 17/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ IRAK1 P51617 1/20 0.40
▸ FLT3 P36888 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
SCHEMBL1995409 0.94 IRAK4 (0.47) EIF2AK4IRAK4IRAK1FLT3
SCHEMBL12616146 0.80 EIF2AK4 (0.49) EIF2AK4
SCHEMBL1994957 0.80 IRAK4 (0.50) EIF2AK4IRAK4IRAK1FLT3
SCHEMBL12616048 0.77 MKNK1 (0.44) EIF2AK4IRAK4IRAK1FLT3
SCHEMBL1997583 0.76 IRAK4 (0.60) EIF2AK4IRAK4IRAK1FLT3
SCHEMBL12614076 0.76 IRAK4 (0.45) EIF2AK4IRAK4IRAK1FLT3
SCHEMBL12611701 0.75 FLT3 (0.53) FLT3
SCHEMBL2034163 0.75 EIF2AK4 (0.45) EIF2AK4IRAK4IRAK1
SCHEMBL2034164 0.75 EIF2AK4 (0.45) EIF2AK4IRAK4IRAK1
SCHEMBL13505191 0.75 IRAK4 (0.50) EIF2AK4IRAK4IRAK1FLT3

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
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 — — WO disclosed
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 — — EP disclosed
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