SCHEMBL3244919

SCHEMBL3244919

CC(=O)Nc1cccc(-c2ccc(N(C)c3cccc(C(F)(F)F)c3)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.50
SYK P43405 3/20 0.46
TP53 P04637 1/20 0.46
USP7 Q93009 1/20 0.44
CHEK2 O96017 1/20 0.43
KDR P35968 2/20 0.43
MPO P05164 1/20 0.43
TEK Q02763 2/20 0.43
CDK8 P49336 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP17A1 P05093 1/20 0.42
BRAF P15056 1/20 0.42
LCK P06239 1/20 0.42
CHEK1 O14757 1/20 0.42
FGFR1 P11362 1/20 0.42
NEK2 P51955 1/20 0.42
MAPK15 Q8TD08 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
SCHEMBL3246389 0.79 CTSC (0.58) FYNSYKKDRMPOTEK
SCHEMBL3241750 0.79 RXRA (0.43)
SCHEMBL3247981 0.76 PTGS1 (0.61) KDRTEKCDK8BRAFLCK
SCHEMBL30022965 0.73 RXFP1 (0.69) TP53MPORXFP1
SCHEMBL505220 0.73 RXFP1 (0.69) TP53MPORXFP1
SCHEMBL31217239 0.71 EGFR (0.44) TP53
SCHEMBL3246808 0.71 CTSC (0.64) SYKKDRMPOTEKCDK8
SCHEMBL11232425 0.71 FYN (0.58) FYNTP53USP7CHEK2RXFP1
SCHEMBL6259141 0.70 FYN (0.55) FYNKDRMPOCDK8RXFP1
SCHEMBL2648798 0.70 FYN (0.54) FYNTP53USP7CHEK2CYP17A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO claimed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed
WO-2010057833-A1 COMPOUNDS FOR TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY BIOMARIN IGA, LTD. (BS) 2010-05-27 WO disclosed