SCHEMBL28834148

SCHEMBL28834148

COc1ccc2c(NC3CCN(C(=O)OC(C)(C)C)C3)ccnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.55
ALDH1A1 P00352 1/20 0.53
PIK3CD O00329 3/20 0.51
PIK3CA P42336 2/20 0.47
USP30 Q70CQ3 4/20 0.45
MAPK7 Q13164 1/20 0.45
MET P08581 1/20 0.45
STS P08842 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CNR1 P21554 2/20 0.44
BRD4 O60885 1/20 0.43
KDR P35968 1/20 0.43
CLK2 P49760 1/20 0.43
IRAK1 P51617 1/20 0.43

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
SCHEMBL28834146 1.00 DYRK1A (0.55) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL29933647 0.93 PIK3CD (0.55) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL28834193 0.93 PIK3CD (0.55) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL28834195 0.93 PIK3CD (0.55) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL29862549 0.88 PIK3CD (0.50) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL28834287 0.88 PIK3CD (0.50) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL28833963 0.88 PIK3CD (0.50) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL28833965 0.88 PIK3CD (0.50) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL29862676 0.88 PIK3CD (0.50) DYRK1AALDH1A1PIK3CDPIK3CAUSP30
SCHEMBL23360216 0.87 HTR1A (0.48) DYRK1AALDH1A1MAPK7NOS3NOS1

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
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed