SCHEMBL29005471

SCHEMBL29005471

COc1nc(Br)cnc1N[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.54
PIK3CA P42336 2/20 0.49
BTK Q06187 1/20 0.49
USP30 Q70CQ3 6/20 0.47
ALDH1A1 P00352 2/20 0.47
NSD2 O96028 1/20 0.45
ADORA1 P30542 1/20 0.44
RIPK1 Q13546 1/20 0.43
IGF1R P08069 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
MERTK Q12866 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL29361258 1.00 PIK3CD (0.54) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL26712642 1.00 PIK3CD (0.54) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL29364345 1.00 PIK3CD (0.54) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL26180109 0.90 PIK3CD (0.48) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL29361820 0.90 PIK3CD (0.48) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL29005783 0.89 PIK3CD (0.51) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL26180092 0.88 PIK3CD (0.47) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL29005588 0.88 PIK3CD (0.51) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL26180083 0.88 PIK3CD (0.51) PIK3CDPIK3CABTKUSP30ALDH1A1
SCHEMBL25027555 0.86 PIK3CD (0.46) PIK3CDPIK3CABTKNSD2

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
CN-115996926-A Indole compounds as androgen receptor modulators 尼多生物科学有限公司 2023-04-21 CN disclosed