SCHEMBL4019999

SCHEMBL4019999

Cc1cc(Nc2nc(Cl)nc3sc(C)nc23)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 4/20 0.54
PLK4 O00444 3/20 0.54
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AURKA O14965 12/20 0.39
GSK3B P49841 7/20 0.39
AURKB Q96GD4 7/20 0.39
FGFR1 P11362 3/20 0.39
JAK2 O60674 3/20 0.39
JAK3 P52333 3/20 0.39
GSK3A P49840 2/20 0.39
RET P07949 2/20 0.39
IGF1R P08069 2/20 0.39
KDR P35968 2/20 0.39
FLT3 P36888 2/20 0.39
PTK2 Q05397 2/20 0.39
TNK2 Q07912 2/20 0.39
DAPK3 O43293 1/20 0.39

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
SCHEMBL22054614 0.81 PAK4 (0.53) PAK4PLK4MEN1HTTKMT2A
SCHEMBL4184328 0.79 PLK4 (0.61) PAK4PLK4MEN1HTTKMT2A
SCHEMBL24996468 0.75 PLK4 (0.63) PAK4PLK4MEN1HTTKMT2A
SCHEMBL22054231 0.75 PLK4 (0.60) PAK4PLK4MEN1HTTKMT2A
SCHEMBL801864 0.75 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL588674 0.75 PAK4 (0.62) PAK4PLK4MEN1HTTKMT2A
SCHEMBL2242602 0.73 JAK2 (0.37) PAK4AURKAFGFR1JAK2JAK3
SCHEMBL22600946 0.72 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL219046 0.72 PAK4 (0.59) PAK4PLK4MEN1HTTKMT2A
SCHEMBL220647 0.71 PAK4 (0.57) PAK4PLK4MEN1HTTKMT2A

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-2009013545-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-01-29 WO disclosed