SCHEMBL28833965

SCHEMBL28833965

COc1cc(NC2CCN(C(=O)OC(C)(C)C)C2)c2cccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.50
ALDH1A1 P00352 1/20 0.50
DYRK1A Q13627 1/20 0.49
USP30 Q70CQ3 6/20 0.47
PIK3CA P42336 1/20 0.46
CNR1 P21554 2/20 0.45
BRD4 O60885 1/20 0.44
BTK Q06187 1/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
SGMS1 Q86VZ5 1/20 0.43
SGMS2 Q8NHU3 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
SCHEMBL29862549 1.00 PIK3CD (0.50) PIK3CDALDH1A1DYRK1AUSP30PIK3CA
SCHEMBL28834287 1.00 PIK3CD (0.50) PIK3CDALDH1A1DYRK1AUSP30PIK3CA
SCHEMBL29862676 1.00 PIK3CD (0.50) PIK3CDALDH1A1DYRK1AUSP30PIK3CA
SCHEMBL28833963 1.00 PIK3CD (0.50) PIK3CDALDH1A1DYRK1AUSP30PIK3CA
SCHEMBL28833993 0.88 USP30 (0.47) PIK3CDALDH1A1USP30PIK3CACNR1
SCHEMBL28834141 0.88 USP30 (0.47) PIK3CDALDH1A1USP30PIK3CACNR1
SCHEMBL28834146 0.88 DYRK1A (0.55) PIK3CDALDH1A1DYRK1AUSP30PIK3CA
SCHEMBL28833994 0.88 USP30 (0.47) PIK3CDALDH1A1USP30PIK3CACNR1
SCHEMBL29863261 0.88 USP30 (0.47) PIK3CDALDH1A1USP30PIK3CACNR1
SCHEMBL28834148 0.88 DYRK1A (0.55) PIK3CDALDH1A1DYRK1AUSP30PIK3CA

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