SCHEMBL3719655

SCHEMBL3719655

CC(C)(O)c1cc(-c2cncc(-c3cnn(C4CCOCC4)c3)c2)cc(-c2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.43
ALK Q9UM73 1/20 0.42
MET P08581 4/20 0.42
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 1/20 0.39
ACVR1 Q04771 1/20 0.38
JAK2 O60674 4/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
TYK2 P29597 1/20 0.38
FLT3 P36888 1/20 0.37
LRRK2 Q5S007 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
MAP3K5 Q99683 1/20 0.35
IRAK1 P51617 1/20 0.35
MAP4K3 Q8IVH8 1/20 0.35
KHK P50053 1/20 0.34

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
SCHEMBL3723926 0.90 IRAK4 (0.47) IRAK4ALKMETJAK2FLT3
SCHEMBL17287917 0.87 MET (0.42) IRAK4METFLT3MAP3K5IRAK1
SCHEMBL3723366 0.84 MET (0.49) IRAK4ALKMETMKNK1MKNK2
SCHEMBL3722850 0.84 ALK (0.45) IRAK4ALKMETMKNK1MKNK2
SCHEMBL3722316 0.83 ACVR1B (0.43) IRAK4METMKNK1MKNK2IRAK1
SCHEMBL3728635 0.82 ALK (0.43) IRAK4ALKMETMKNK1MKNK2
SCHEMBL3724847 0.75 ACVR1B (0.44) ALKMETMKNK1MKNK2IRAK1
SCHEMBL3663869 0.74 GRM5 (0.36)
SCHEMBL3718389 0.73 MAP4K3 (0.53) IRAK4ALKMETJAK2FLT3
SCHEMBL3715497 0.73 IRAK4 (0.48) IRAK4ALKMETIRAK1MAP4K3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 WO disclosed