SCHEMBL3466955

SCHEMBL3466955

COc1ccc(CNc2nccn3c(-c4ccc5ccccc5c4)cnc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTK P33981 4/20 0.50
GAA P10253 3/20 0.48
ADORA3 P0DMS8 1/20 0.46
PDE10A Q9Y233 1/20 0.46
THRB P10828 3/20 0.45
MAPT P10636 2/20 0.45
ZAP70 P43403 1/20 0.44
KARS1 Q15046 1/20 0.44
TP53 P04637 1/20 0.42
KIT P10721 1/20 0.42
CCNE2 O96020 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
PTAFR P25105 1/20 0.42
CLK4 Q9HAZ1 2/20 0.42

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
SCHEMBL12409255 0.85 TTK (0.52) TTKGAAADORA3THRBMAPT
SCHEMBL3469243 0.84 ADORA3 (0.51) TTKGAAADORA3THRBMAPT
SCHEMBL12409250 0.84 ZAP70 (0.51) TTKADORA3MAPTZAP70KARS1
SCHEMBL12409242 0.82 TTK (0.56) TTKADORA3MAPT
SCHEMBL12409270 0.81 FYN (0.58) TTKGAAADORA3MAPTTP53
SCHEMBL13937882 0.81 TTK (0.52) TTKGAAADORA3THRBMAPT
SCHEMBL12409315 0.81 CYP1A2 (0.47) TTKGAAADORA3THRBMAPT
SCHEMBL12409228 0.80 CA1 (0.52) TTKGAATHRBMAPTZAP70
SCHEMBL12409317 0.80 TTK (0.48) TTKGAAADORA3THRBMAPT
SCHEMBL5401140 0.79 FLT3 (0.55) TTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO claimed
WO-2010069684-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-06-24 WO disclosed