SCHEMBL14547696

SCHEMBL14547696

COc1cc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 4/20 0.56
▸ IRAK4 Q9NWZ3 1/20 0.55
▸ TTK P33981 1/20 0.54
▸ PIK3CB P42338 1/20 0.54
▸ MAPK8 P45983 1/20 0.54
▸ PTK2 Q05397 1/20 0.54
▸ MERTK Q12866 2/20 0.52
▸ LRRK2 Q5S007 1/20 0.50
▸ JAK3 P52333 10/20 0.48
▸ BTK Q06187 8/20 0.48
▸ ULK1 O75385 1/20 0.48

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
SCHEMBL12085327 0.80 PAK4 (0.56) PAK4IRAK4PTK2MERTKLRRK2
SCHEMBL12085351 0.80 PAK4 (0.58) PAK4IRAK4TTKPIK3CBMAPK8
SCHEMBL19020702 0.80 PAK4 (0.58) PAK4IRAK4TTKPIK3CBMAPK8
SCHEMBL27930634 0.79 PAK4 (0.64) PAK4IRAK4TTKPIK3CBMAPK8
SCHEMBL12085333 0.79 MAPK8 (0.57) PAK4IRAK4TTKPIK3CBMAPK8
SCHEMBL14547900 0.79 JAK3 (0.69) PAK4IRAK4TTKPIK3CBMAPK8
SCHEMBL14547889 0.79 PAK4 (0.60) PAK4IRAK4TTKPIK3CBMAPK8
SCHEMBL18984923 0.78 BTK (0.70) PAK4IRAK4PTK2JAK3BTK
SCHEMBL18656946 0.78 PAK4 (0.59) PAK4IRAK4TTKPIK3CBMAPK8
SCHEMBL14547841 0.78 PAK4 (0.56) PAK4IRAK4TTKPIK3CBMAPK8

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
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO disclosed
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