SCHEMBL3466032

SCHEMBL3466032

O=C(NCCO)c1cccc(-c2cnc3c(Nc4cccc(C(F)(F)F)c4)nccn23)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.49
PAX8 Q06710 2/20 0.49
TTK P33981 2/20 0.47
BRAF P15056 2/20 0.47
KIT P10721 3/20 0.46
DDR1 Q08345 3/20 0.46
ABL1 P00519 2/20 0.46
BCR P11274 2/20 0.46
DDR2 Q16832 2/20 0.46
GPR52 Q9Y2T5 6/20 0.46
FYN P06241 4/20 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
SCHEMBL3469410 0.90 RAD52 (0.62) RAD52PAX8BRAFFYN
SCHEMBL3467002 0.88 LMNA (0.54) RAD52PAX8TTKBRAFKIT
SCHEMBL3465798 0.86 BRAF (0.51) TTKBRAFKITDDR1ABL1
SCHEMBL3466290 0.84 KIT (0.46) RAD52PAX8TTKBRAFKIT
SCHEMBL3469724 0.82 FYN (0.51) RAD52TTKABL1BCRFYN
SCHEMBL3469526 0.82 TTK (0.48) TTKBRAFFYN
SCHEMBL3465843 0.82 LMNA (0.43) TTKBRAFKITDDR1ABL1
SCHEMBL3466303 0.81 GAA (0.53) TTKBRAFKITDDR1ABL1
SCHEMBL3469213 0.81 FYN (0.55) RAD52PAX8TTKBRAFKIT
SCHEMBL13343330 0.81 RAD52 (0.51) RAD52PAX8TTKBRAFKIT

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