SCHEMBL791362

SCHEMBL791362

O=C1C=Cc2cc(Br)cnc2C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRB P09619 1/20 0.33
PIM1 P11309 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
GRK5 P34947 1/20 0.33

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
SCHEMBL11349207 0.72 GSK3A (0.37) GSK3AGSK3B
SCHEMBL725528 0.69 GSK3A (0.39) GSK3AGSK3B
SCHEMBL29427881 0.69 GSK3A (0.39) GSK3AGSK3B
SCHEMBL30483673 0.68 HTT (0.32) HSD17B10HTTKMT2A
SCHEMBL28642002 0.65 CMA1 (0.43) GSK3AGSK3B
SCHEMBL29750384 0.65 GSK3A (0.39) GSK3AGSK3BABL1KMT2A
SCHEMBL18920 0.65 GSK3A (0.39) GSK3AGSK3BABL1KMT2A
Hydrochloric Acid SCHEMBL6025174 0.64 GSK3A (0.37) GSK3AGSK3BABL1KMT2A
Hydrochloric Acid SCHEMBL28537243 0.64 GSK3A (0.37) GSK3AGSK3BABL1KMT2A
SCHEMBL660464 0.63 AHR (0.49) GSK3AGSK3BAURKADAPK3JAK2

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed