SCHEMBL12655413

SCHEMBL12655413

COc1ccc(Nc2nc(N3CCC(O)(CO)CC3)nc3c(Br)c[nH]c(=O)c23)cc1CF

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.37
AXL P30530 1/20 0.37
FLT3 P36888 1/20 0.37
WHR1 P49842 1/20 0.36
BCL6 P41182 3/20 0.34
LRRK2 Q5S007 1/20 0.33
SYK P43405 7/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
GALR2 O43603 1/20 0.32
GALR1 P47211 1/20 0.32
JAK2 O60674 3/20 0.32
RBP1 P09455 1/20 0.31
SRC P12931 2/20 0.31

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
SCHEMBL1298156 0.89 WHR1 (0.39) KITAXLFLT3WHR1LRRK2
SCHEMBL12655398 0.82 SRC (0.44) KITAXLFLT3LRRK2JAK2
SCHEMBL1298776 0.80 LRRK2 (0.47) WHR1LRRK2SYKJAK2
SCHEMBL1298259 0.80 LRRK2 (0.55) LRRK2SYK
SCHEMBL1297937 0.80 KIT (0.57) KITAXLFLT3SYKJAK2
SCHEMBL1298348 0.77 LRRK2 (0.49) WHR1LRRK2SYKJAK2
SCHEMBL1298858 0.75 LRRK2 (0.53) WHR1LRRK2SYKJAK2
SCHEMBL1298518 0.73 LRRK2 (0.47) WHR1BCL6LRRK2SYKJAK2
SCHEMBL1325426 0.72 LRRK2 (0.47) WHR1LRRK2SYKJAK2
SCHEMBL1298682 0.71 LRRK2 (0.39) BCL6LRRK2SYKJAK2

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-2011053861-A1 KINASE INHIBITORS GENOSCO (US) 2011-05-05 WO disclosed