SCHEMBL1994913

SCHEMBL1994913

CCCCC1[C@@H](Nc2ccnc(-c3cnc4ccc(C#N)cn34)n2)CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.40
IRAK1 P51617 1/20 0.40
EIF2AK4 Q9P2K8 7/20 0.39
FLT3 P36888 1/20 0.39
JAK2 O60674 8/20 0.38
JAK3 P52333 8/20 0.38
JAK1 P23458 5/20 0.38
CYP3A4 P08684 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36

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
SCHEMBL1997370 0.85 EIF2AK4 (0.42) ADORA2AIRAK4IRAK1EIF2AK4FLT3
SCHEMBL1994795 0.85 EIF2AK4 (0.42) ADORA2AIRAK4IRAK1EIF2AK4FLT3
SCHEMBL2037145 0.78 ADORA2A (0.44) ADORA2AIRAK4IRAK1EIF2AK4FLT3
SCHEMBL13505191 0.77 IRAK4 (0.50) IRAK4IRAK1EIF2AK4FLT3JAK2
SCHEMBL1993495 0.76 IRAK4 (0.47) ADORA2AIRAK4IRAK1EIF2AK4FLT3
SCHEMBL12643901 0.76 IRAK4 (0.47) ADORA2AIRAK4IRAK1EIF2AK4FLT3
Methyl Alcohol SCHEMBL15193449 0.76 IRAK4 (0.46) ADORA2AIRAK4IRAK1EIF2AK4FLT3
SCHEMBL1997054 0.75 IRAK4 (0.46) IRAK4IRAK1EIF2AK4FLT3JAK2
SCHEMBL15198123 0.75 IRAK4 (0.46) IRAK4IRAK1EIF2AK4FLT3JAK2
SCHEMBL1994606 0.74 IRAK4 (0.49) IRAK4IRAK1EIF2AK4FLT3JAK2

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