SCHEMBL30784242

SCHEMBL30784242

CC[C@@H](N)c1cc(C)cc2c(=O)n(C)c(N3CCOCC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.43
▸ AKT2 P31751 1/20 0.43
▸ AKT3 Q9Y243 1/20 0.43
▸ PIK3CB P42338 11/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ STAT6 P42226 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CRHR1 P34998 1/20 0.35
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL27292150 1.00 AKT1 (0.43) AKT1AKT2AKT3PIK3CBDRD2
SCHEMBL30783583 0.88 AKT1 (0.47) AKT1AKT2AKT3PIK3CBDRD2
SCHEMBL30784348 0.88 AKT1 (0.47) AKT1AKT2AKT3PIK3CBDRD2
SCHEMBL27305600 0.85 AKT1 (0.48) AKT1AKT2AKT3PIK3CBDRD2
SCHEMBL30784536 0.85 AKT1 (0.43) AKT1AKT2AKT3PIK3CBDRD2
SCHEMBL30784478 0.84 AKT1 (0.44) AKT1AKT2AKT3PIK3CBHTT
SCHEMBL30784330 0.84 AKT1 (0.47) AKT1AKT2AKT3PIK3CBDRD2
SCHEMBL30783993 0.84 AKT1 (0.49) AKT1AKT2AKT3PIK3CBDRD2
SCHEMBL30784529 0.81 AKT1 (0.41) AKT1AKT2AKT3PIK3CBHTT
SCHEMBL30783932 0.79 PIK3CB (0.38) AKT1AKT2AKT3PIK3CBDPP4

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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