SCHEMBL25344642

SCHEMBL25344642

COc1ncc([C@@H]2CCCN(C(=O)O)C2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.44
PIK3CA P42336 11/20 0.42
PIK3CB P42338 4/20 0.42
PIK3CG P48736 4/20 0.42
PROKR1 Q8TCW9 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
SCHEMBL27211332 1.00 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBPIK3CGPROKR1
SCHEMBL27211435 0.86 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29457541 0.86 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CG
Trifluoroacetic Acid SCHEMBL29457433 0.74 HTR2A (0.46) PIK3CDPIK3CA
Trifluoroacetic Acid SCHEMBL30473673 0.74 HTR2A (0.46) PIK3CDPIK3CA
SCHEMBL25341741 0.74 HTR2A (0.55)
SCHEMBL23326185 0.74 HTR2A (0.55) PROKR1
SCHEMBL25344277 0.70 PIK3CD (0.51) PIK3CDPIK3CAPROKR1
SCHEMBL30473674 0.70 PIK3CD (0.51) PIK3CDPIK3CAPROKR1
SCHEMBL27211356 0.70 PIK3CD (0.51) PIK3CDPIK3CAPROKR1

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
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 EP disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 WO disclosed