SCHEMBL2036192

SCHEMBL2036192

N#Cc1ccc2ncc(-c3nccc(NC4CCCN(C(=O)C5CC5C#N)C4)n3)n2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.46
▸ IRAK1 P51617 1/20 0.45
▸ FLT3 P36888 3/20 0.44
▸ EIF2AK4 Q9P2K8 7/20 0.42
▸ EGLN2 Q96KS0 1/20 0.40
▸ JAK2 O60674 6/20 0.39
▸ JAK3 P52333 6/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 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
SCHEMBL13505191 0.89 IRAK4 (0.50) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1993495 0.86 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL12643905 0.86 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1992529 0.86 FLT3 (0.53) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1994106 0.86 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL12643901 0.86 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1992612 0.86 FLT3 (0.53) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL12643668 0.86 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL12643906 0.85 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2
SCHEMBL1994802 0.85 IRAK4 (0.47) IRAK4IRAK1FLT3EIF2AK4EGLN2

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 claimed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 — — WO claimed
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