SCHEMBL30784281

SCHEMBL30784281

COc1cc(Br)c2nc(N3CCOCC3)n(C)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.45
▸ HTT P42858 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ PRKDC P78527 3/20 0.40
▸ GLA P06280 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ STAT6 P42226 1/20 0.38

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
SCHEMBL30784051 0.85 HTT (0.43) DPP4HTTDRD2DRD4DRD3
SCHEMBL30784241 0.85 HTT (0.43) DPP4HTTDRD2DRD4DRD3
SCHEMBL30784114 0.84 HTT (0.42) DPP4HTTDRD2DRD4DRD3
SCHEMBL30784502 0.84 SMN1; SMN2 (0.43) DPP4HTTDRD2DRD4DRD3
SCHEMBL30784388 0.84 HTR1B (0.40) DPP4HTTDRD2DRD4DRD3
SCHEMBL30783708 0.83 HTT (0.41) DPP4HTTDRD2DRD4DRD3
SCHEMBL30784328 0.83 DPP4 (0.39) DPP4HTTDRD2DRD4DRD3
SCHEMBL30783877 0.82 HTT (0.41) DPP4HTTDRD2DRD4DRD3
SCHEMBL30784290 0.81 HTT (0.40) DPP4HTTDRD2DRD4DRD3
SCHEMBL30784048 0.81 CRHR1 (0.41) DPP4HTTDRD2DRD4DRD3

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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