SCHEMBL2036609

SCHEMBL2036609

N#Cc1ccc2ncc(-c3nccc(NC4CCCOC4)n3)n2c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.54
▸ IRAK1 P51617 2/20 0.52
▸ FLT3 P36888 2/20 0.51
▸ JAK2 O60674 9/20 0.47
▸ JAK3 P52333 9/20 0.47
▸ JAK1 P23458 5/20 0.47
▸ EIF2AK4 Q9P2K8 4/20 0.44
▸ CTSK P43235 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ RET P07949 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ SRPK1 Q96SB4 1/20 0.39
▸ EGLN1 Q9GZT9 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
SCHEMBL1996579 0.89 IRAK4 (0.58) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1997583 0.88 IRAK4 (0.60) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1996010 0.84 IRAK4 (0.75) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1990855 0.84 IRAK4 (0.75) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1993336 0.84 IRAK4 (0.75) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1996185 0.83 IRAK4 (0.58) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1996184 0.83 IRAK4 (0.58) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1994957 0.80 IRAK4 (0.50) IRAK4IRAK1FLT3EIF2AK4
SCHEMBL13505191 0.80 IRAK4 (0.50) IRAK4IRAK1FLT3JAK2JAK3
SCHEMBL1994606 0.78 IRAK4 (0.49) IRAK4IRAK1FLT3JAK2JAK3

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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