SCHEMBL27930634

SCHEMBL27930634

[c]1ccc(Nc2nc(NC3CCC3)c3cc[nH]c3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 4/20 0.64
▸ IRAK4 Q9NWZ3 1/20 0.59
▸ JAK3 P52333 13/20 0.50
▸ BTK Q06187 11/20 0.50
▸ HPGDS O60760 1/20 0.47
▸ TTK P33981 1/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ PTK2 Q05397 1/20 0.46

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
SCHEMBL14547889 0.85 PAK4 (0.60) PAK4IRAK4JAK3BTKTTK
SCHEMBL14547900 0.82 JAK3 (0.69) PAK4IRAK4JAK3BTKTTK
SCHEMBL14547887 0.82 PAK4 (0.60) PAK4IRAK4JAK3BTK
SCHEMBL12085425 0.81 MERTK (0.66) PAK4IRAK4JAK3BTKPTK2
SCHEMBL1019228 0.81 JAK3 (0.66) PAK4IRAK4JAK3BTKTTK
SCHEMBL12085351 0.81 PAK4 (0.58) PAK4IRAK4JAK3BTKTTK
SCHEMBL19020702 0.81 PAK4 (0.58) PAK4IRAK4JAK3BTKHPGDS
SCHEMBL12085463 0.81 CCNT1 (0.59) PAK4IRAK4JAK3BTK
SCHEMBL14547888 0.81 SYK (0.62) PAK4IRAK4JAK3BTK
SCHEMBL14670760 0.81 SYK (0.59) PAK4IRAK4JAK3BTKPTK2

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
CN-103224497-A Inhibitors of protein kinases PORTOLA PHARM INC 2013-07-31 — — CN disclosed
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