SCHEMBL29457541

SCHEMBL29457541

COc1ncc(C2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.52
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR119 Q8TDV5 3/20 0.45
PRMT5 O14744 1/20 0.45
PDE4B Q07343 1/20 0.45
HPGDS O60760 1/20 0.43
PIK3CA P42336 4/20 0.42
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
RET P07949 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL27211435 1.00 PIK3CD (0.52) PIK3CDMEN1ALDH1A1MAPTKMT2A
SCHEMBL27211332 0.86 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25344642 0.86 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30473674 0.85 PIK3CD (0.51) PIK3CDMEN1ALDH1A1MAPTKMT2A
SCHEMBL25344277 0.85 PIK3CD (0.51) PIK3CDMEN1ALDH1A1MAPTKMT2A
SCHEMBL27211356 0.85 PIK3CD (0.51) PIK3CDMEN1ALDH1A1MAPTKMT2A
SCHEMBL25343649 0.85 PDE4B (0.47) PIK3CDMEN1ALDH1A1MAPTKMT2A
SCHEMBL29457556 0.85 PDE4B (0.47) PIK3CDMEN1ALDH1A1MAPTKMT2A
SCHEMBL25343640 0.85 PDE4B (0.47) PIK3CDMEN1ALDH1A1MAPTKMT2A
SCHEMBL25342400 0.85 PDE4B (0.47) PIK3CDGPR119PRMT5PDE4BHPGDS

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-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed