SCHEMBL3467040

SCHEMBL3467040

OCc1ccc(-c2cnc3c(NCCc4cccnc4)nccn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTK P33981 13/20 0.50
ADORA3 P0DMS8 2/20 0.43
FLT3 P36888 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPK8 P45983 1/20 0.40

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
SCHEMBL12409238 0.88 TTK (0.53) TTKADORA3FLT3
SCHEMBL12409323 0.84 PIK3CA (0.46) TTKADORA3FLT3KDM4EALDH1A1
SCHEMBL9966195 0.83 TTK (0.74) TTK
SCHEMBL12409319 0.80 TTK (0.47) TTK
SCHEMBL12409271 0.80 TTK (0.56) TTKADORA3KDM4EALDH1A1CYP1A2
SCHEMBL3466249 0.79 PTGDR (0.44) TTKADORA3ALDH1A1CYP1A2CYP3A4
SCHEMBL12409227 0.78 TTK (0.51) TTKADORA3FLT3
SCHEMBL12409289 0.77 TTK (0.56) TTKADORA3FLT3
SCHEMBL3469482 0.77 TTK (0.71) TTKFLT3
SCHEMBL12409288 0.76 TTK (0.55) TTKADORA3KDM4EALDH1A1CYP1A2

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