SCHEMBL25852947

SCHEMBL25852947

Cc1cccc(Cn2ccc(-c3cn(S)c4ncc(N5CCOCC5)cc34)cc2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 19/20 0.54
▸ PIK3CD O00329 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47

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
SCHEMBL25853128 0.91 MAPK1 (0.55) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557927 0.91 MAPK1 (0.56) MAPK1
SCHEMBL25858106 0.90 MAPK1 (0.54) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21558013 0.90 MAPK1 (0.54) MAPK1
SCHEMBL21557727 0.89 MAPK1 (0.49) MAPK1
SCHEMBL21557654 0.89 MAPK1 (0.53) MAPK1
SCHEMBL25852058 0.89 MAPK1 (0.53) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25853296 0.89 MAPK1 (0.49) MAPK1
SCHEMBL25857373 0.89 MAPK1 (0.53) MAPK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21557667 0.87 MAPK1 (0.58) MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023135233-A1 AZAINDOLE DERIVATIVES AND THEIR USE AS ERK KINASE INHIBITORS AGV DISCOVERY (FR) 2023-07-20 — — WO disclosed
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