SCHEMBL3469970

SCHEMBL3469970

CC(=O)Nc1cccc(-c2cnc3c(NCc4ccc5c(c4)OCO5)nccn23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.57
FYN P06241 5/20 0.52
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 5/20 0.46
MAPT P10636 3/20 0.46
GFER P55789 1/20 0.46
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
ALOX15 P16050 3/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.45
TTK P33981 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL12409300 0.87 TUBB4A (0.46) BRAFFYNKDM4EALDH1A1GAA
SCHEMBL14767510 0.85 ALDH1A1 (0.52) FYNKDM4EALDH1A1GAAMAPT
SCHEMBL3466304 0.85 PDE5A (0.53) FYNKDM4EALDH1A1GAAMAPT
SCHEMBL3469850 0.84 CLK4 (0.51) FYNKDM4EALDH1A1GAAMAPT
SCHEMBL12409290 0.82 TTK (0.46) BRAFFYNTTK
SCHEMBL3471655 0.81 FYN (0.59) FYNKDM4EALDH1A1GAAMAPT
SCHEMBL12409301 0.81 PDE5A (0.52) FYNKDM4EALDH1A1GAAMAPT
SCHEMBL3467720 0.80 FYN (0.62) BRAFFYNKDM4EALDH1A1GAA
SCHEMBL3466505 0.80 FYN (0.58) BRAFFYNTTKKDR
SCHEMBL3469969 0.79 FYN (0.53) BRAFFYNKDM4EALDH1A1GAA

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