SCHEMBL12779523

SCHEMBL12779523

O=c1[nH]c2ncnc(I)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GDA Q9Y2T3 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ MAPT P10636 1/20 0.38
▸ TYRO3 Q06418 2/20 0.36
▸ DYRK1B Q9Y463 2/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ FGFR1 P11362 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
SCHEMBL48258 0.77 ERAP1 (0.61) GDAACHESLC6A5MAPTTYRO3
SCHEMBL29385750 0.77 ERAP1 (0.61) GDAACHESLC6A5MAPTTYRO3
SCHEMBL13354614 0.75 GDA (0.47) GDAACHESLC6A5MAPTTYRO3
SCHEMBL1002106 0.75 ACHE (0.42) GDAACHESLC6A5MAPTTYRO3
SCHEMBL38855 0.72 PDPK1 (0.42) GDAACHESLC6A5MAPTTYRO3
SCHEMBL19153464 0.71 SLC6A5 (0.41) GDAACHESLC6A5MAPTERAP1
SCHEMBL6746072 0.71 LRRK2 (0.44) GDAACHESLC6A5MAPTAURKA
SCHEMBL10217112 0.71 FFAR2 (0.40) GDAACHESLC6A5MAPTTYRO3
SCHEMBL2398078 0.71 SLC6A5 (0.44) GDAACHESLC6A5MAPTTYRO3
SCHEMBL31268389 0.71 LRRK2 (0.44) GDAACHESLC6A5MAPTAURKA

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-2011050245-A1 BICYCLIC HETEROARYLS AS KINASE INHIBITORS FENG YANGBO (US) 2011-04-28 — — WO disclosed
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