SCHEMBL12614076

SCHEMBL12614076

N#Cc1ccc2ncc(-c3nccc(NC4CCCN(C(=O)c5ccc(N)cn5)C4)n3)n2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.45
▸ IRAK1 P51617 1/20 0.43
▸ FLT3 P36888 3/20 0.42
▸ EIF2AK4 Q9P2K8 6/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.39
▸ MKNK1 Q9BUB5 3/20 0.38
▸ MKNK2 Q9HBH9 3/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ CYP3A4 P08684 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
SCHEMBL1994802 0.94 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4PLA2G1B
SCHEMBL12643906 0.94 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4PLA2G1B
SCHEMBL13505191 0.87 IRAK4 (0.50) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL12643905 0.86 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL12643668 0.86 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1992612 0.84 FLT3 (0.53) IRAK4IRAK1FLT3JAK2JAK1
SCHEMBL12643901 0.84 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1994106 0.84 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1993495 0.84 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1992529 0.84 FLT3 (0.53) IRAK4IRAK1FLT3JAK2JAK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338888-A1 Imidazopyridine derivatives as JAK inhibitors Almirall, S.A. (ES) 2011-06-29 — — EP disclosed
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