SCHEMBL3469705

SCHEMBL3469705

Brc1cnc2c(NC3CCCCC3)nccn12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.57
MAPK8 P45983 1/20 0.51
FLT3 P36888 4/20 0.45
HCRTR2 O43614 1/20 0.42
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
ADORA1 P30542 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL275206 0.94 MAPK8 (0.54) ADORA3MAPK8FLT3HCRTR2KDM4E
SCHEMBL5398296 0.93 ADORA3 (0.53) ADORA3MAPK8FLT3HCRTR2
SCHEMBL8246210 0.77 AURKA (0.55) ADORA3MAPK8FLT3
SCHEMBL14529893 0.76 ADORA3 (0.48) ADORA3MAPK8FLT3
SCHEMBL19068534 0.75 HCRTR2 (0.43) ADORA3HCRTR2ADORA1
SCHEMBL11940635 0.74 ADORA3 (0.56) ADORA3
SCHEMBL14537078 0.74 ADORA3 (0.46) ADORA3MAPK8FLT3
SCHEMBL16041123 0.74 HCRTR2 (0.42) ADORA3FLT3HCRTR2ADORA1
SCHEMBL2269579 0.73 FLT3 (0.55) ADORA3FLT3HCRTR2
SCHEMBL19125214 0.73 ADORA3 (1.00) ADORA3

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 1 patent. 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 disclosed