SCHEMBL3467192

SCHEMBL3467192

Fc1ccccc1-c1cnc2c(NCc3cccs3)nccn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.56
ADORA3 P0DMS8 2/20 0.52
FLT3 P36888 1/20 0.51
ADORA2A P29274 1/20 0.46
CYP1A2 P05177 7/20 0.43
CYP3A4 P08684 7/20 0.43
CYP2D6 P10635 7/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP2C19 P33261 5/20 0.43
TSHR P16473 4/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP2C9 P11712 2/20 0.43
ALOX15 P16050 1/20 0.43
F2 P00734 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41

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
SCHEMBL3469185 0.84 TTK (0.68) TTKADORA3FLT3ADORA2ACYP1A2
SCHEMBL3467010 0.81 TTK (0.59) TTKADORA3FLT3ADORA2ACYP1A2
SCHEMBL9938222 0.81 ADORA3 (0.59) TTKADORA3FLT3ADORA2ACYP1A2
SCHEMBL12409279 0.80 TTK (0.70) TTKADORA3FLT3ADORA2ACYP1A2
SCHEMBL12409294 0.77 TTK (0.61) TTKADORA3FLT3ADORA2ACYP1A2
SCHEMBL3467195 0.77 TTK (0.61) TTKADORA3FLT3ADORA2ATP53
SCHEMBL5401154 0.77 FLT3 (0.54) TTKADORA3FLT3ADORA2A
SCHEMBL3466848 0.76 FLT3 (0.43) TTKFLT3CYP1A2CYP3A4CYP2D6
SCHEMBL12409308 0.75 FYN (0.59) TTKADORA3FLT3ADORA2ACYP1A2
SCHEMBL9941323 0.74 TTK (0.57) TTKADORA3FLT3ADORA2AMAPT

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