SCHEMBL3466944

SCHEMBL3466944

FC(F)(F)Oc1cccc(-c2cnc3c(Nc4cccc(C(F)(F)F)c4)nccn23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
SYK P43405 1/20 0.42
BRAF P15056 1/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
UGT1A1 P22309 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
PMP22 Q01453 1/20 0.41
DHODH Q02127 1/20 0.41
KMT2A Q03164 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
SCHEMBL3466346 0.91 TTK (0.45) ABCG2SYKLMNAMEN1GMNN
SCHEMBL3467043 0.90 ABCG2 (0.54) ABCG2SYKBRAFLMNACYP1A2
SCHEMBL3469478 0.88 ABL1 (0.44) DYRK1ASYKBRAFTTKFYN
SCHEMBL3466303 0.85 GAA (0.53) ABCG2SYKBRAFLMNAMEN1
SCHEMBL3465711 0.83 SYK (0.45) ABCG2SYKBRAFLMNAMEN1
SCHEMBL3466296 0.83 POLB (0.48) ABCG2SYKBRAFLMNATDP1
SCHEMBL3465843 0.83 LMNA (0.43) ABCG2SYKBRAFLMNAMEN1
SCHEMBL5400838 0.83 DYRK1A (0.50) DYRK1AFYNADORA3
SCHEMBL3466253 0.82 MC4R (0.54) ABCG2BRAFTTKFYNCTSC
SCHEMBL3469213 0.81 FYN (0.55) DYRK1AABCG2SYKBRAFLMNA

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