SCHEMBL30851971

SCHEMBL30851971

COc1ncnc(C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.42
PIK3CD O00329 5/20 0.41
BACE1 P56817 2/20 0.41
CTSD P07339 1/20 0.41
CTSE P14091 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
SRC P12931 1/20 0.40
ADK P55263 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL30851996 0.81 GPR119 (0.47) GPR119ADK
SCHEMBL16078096 0.77 MAP4K4 (0.44) GPR119SRCADKMAP4K4
SCHEMBL16049455 0.76 MAP4K4 (0.44) GPR119SRCADKMAP4K4
SCHEMBL26641481 0.75 GPR119 (0.45) GPR119PIK3CAADK
SCHEMBL30490329 0.75 GPR119 (0.45) GPR119PIK3CAADK
SCHEMBL30785488 0.75 GPR119 (0.42) GPR119ADKMAP4K4
SCHEMBL25939124 0.75 GPR119 (0.42) GPR119
SCHEMBL30785450 0.75 GPR119 (0.42) GPR119ADKMAP4K4
SCHEMBL31605021 0.75 GPR119 (0.42) GPR119ALDH1A1ADK
SCHEMBL27158067 0.75 GPR119 (0.42) GPR119ADKMAP4K4

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-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed