SCHEMBL3470355

SCHEMBL3470355

COCCNc1nccn2c(-c3cccc(OC)c3)cnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
TTK P33981 10/20 0.46
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
FYN P06241 1/20 0.44
MAPT P10636 1/20 0.43
SRC P12931 1/20 0.43
IKBKB O14920 1/20 0.42
CHUK O15111 1/20 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
SCHEMBL3466464 0.87 TTK (0.48) TTKFYNFLT3
SCHEMBL3470277 0.84 FYN (0.54) TTKFYNFLT3
SCHEMBL3469392 0.83 FYN (0.56) TTKTP53GAATHRBADORA3
SCHEMBL3469327 0.81 EED (0.48) CYP1A2CYP3A4CYP2D6CYP2C19USP2
SCHEMBL3471147 0.81 MAPK1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19USP2
SCHEMBL3466360 0.80 TTK (0.53) ALDH1A1TTKMAPTFLT3
SCHEMBL12409321 0.80 FYN (0.48) TTKFYNFLT3
SCHEMBL14668740 0.78 TTK (0.50) TTKFYNFLT3
SCHEMBL12409251 0.78 ZAP70 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19USP2
SCHEMBL8246959 0.77 AURKA (0.54) TTKFLT3

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