SCHEMBL3467010

SCHEMBL3467010

Fc1cccc(-c2cnc3c(NCc4cccs4)nccn23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.59
ADORA3 P0DMS8 4/20 0.53
FLT3 P36888 1/20 0.50
ADORA2A P29274 2/20 0.47
FYN P06241 6/20 0.44
CLK4 Q9HAZ1 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA1 P30542 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 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
SCHEMBL12409294 0.88 TTK (0.61) TTKADORA3FLT3ADORA2AFYN
SCHEMBL3469185 0.87 TTK (0.68) TTKADORA3FLT3ADORA2AFYN
SCHEMBL12409279 0.82 TTK (0.70) TTKADORA3FLT3ADORA2AFYN
SCHEMBL3467192 0.81 TTK (0.56) TTKADORA3FLT3ADORA2AFYN
SCHEMBL12409308 0.81 FYN (0.59) TTKADORA3FLT3ADORA2AFYN
SCHEMBL3466990 0.80 ADORA3 (0.52) TTKADORA3ADORA2ACLK4CYP1A2
SCHEMBL12340253 0.80 TTK (0.64) TTKADORA3FLT3FYN
SCHEMBL3467195 0.79 TTK (0.61) TTKADORA3FLT3ADORA2AFYN
SCHEMBL9938222 0.79 ADORA3 (0.59) TTKADORA3FLT3ADORA2AFYN
SCHEMBL12409306 0.77 SYK (0.49) TTKADORA3ADORA2AMAPTMEN1

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