SCHEMBL3246505

SCHEMBL3246505

CC(=O)Nc1cccc(-c2ccc(Nc3ccccc3OC(F)(F)F)nc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.53
SYK P43405 3/20 0.48
EGFR P00533 3/20 0.46
FGFR1 P11362 3/20 0.46
KDR P35968 2/20 0.46
FYN P06241 4/20 0.45
WNT3A P56704 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
KMT2A Q03164 2/20 0.44
RELA Q04206 2/20 0.44
TP53 P04637 2/20 0.44
CASP3 P42574 1/20 0.44
GFER P55789 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL3247802 0.86 BRAF (0.58) BRAFSYKEGFRKDRFYN
SCHEMBL3234838 0.85 BRAF (0.54) BRAFFYNNPC1RAB9ASMN1; SMN2
SCHEMBL3244240 0.84 BRAF (0.69) BRAFFYNMAPTKDM4EMAPK1
SCHEMBL3242870 0.80 BRAF (0.62) BRAFFGFR1FYNNPC1RAB9A
SCHEMBL3242880 0.78 BRAF (0.54) BRAFSYKEGFRKDRFYN
SCHEMBL3246389 0.78 CTSC (0.58) BRAFSYKEGFRKDRFYN
SCHEMBL3242919 0.78 BRAF (0.47) BRAFSYKEGFRFYN
SCHEMBL3249357 0.77 NPC1 (0.59) BRAFFYNNPC1RAB9ASMN1; SMN2
SCHEMBL1933785 0.77 TTK (0.68) SYK
SCHEMBL3244032 0.76 KDR (0.48) BRAFKDRFYN

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-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