SCHEMBL30784478

SCHEMBL30784478

Cc1cc(C(C)N)c2nc(N3CCCOCC3)n(C)c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ AKT3 Q9Y243 1/20 0.44
▸ CRHR1 P34998 1/20 0.41
▸ PIK3CB P42338 16/20 0.39
▸ HTT P42858 1/20 0.37
▸ PIK3CA P42336 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PRKDC P78527 1/20 0.37

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
SCHEMBL30784348 0.96 AKT1 (0.47) AKT1AKT2AKT3CRHR1PIK3CB
SCHEMBL30783583 0.96 AKT1 (0.47) AKT1AKT2AKT3CRHR1PIK3CB
SCHEMBL30784055 0.90 AKT1 (0.48) AKT1AKT2AKT3CRHR1HTT
SCHEMBL30784529 0.88 AKT1 (0.41) AKT1AKT2AKT3CRHR1PIK3CB
SCHEMBL30783939 0.87 PIK3CB (0.40) AKT1AKT2AKT3PIK3CBPIK3CA
SCHEMBL27305600 0.87 AKT1 (0.48) AKT1AKT2AKT3PIK3CBHTT
SCHEMBL30784330 0.85 AKT1 (0.47) AKT1AKT2AKT3CRHR1PIK3CB
SCHEMBL30783993 0.85 AKT1 (0.49) AKT1AKT2AKT3CRHR1PIK3CB
SCHEMBL30783794 0.85 HTT (0.40) AKT1AKT2AKT3HTTPIK3CA
SCHEMBL30784536 0.84 AKT1 (0.43) AKT1AKT2AKT3CRHR1PIK3CB

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-2024026424-A1 QUINAZOLINONE DERIVATIVES AS AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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