SCHEMBL30784328

SCHEMBL30784328

COc1cc([C@@H](C)N)c2nc(N3CCOCC3)n(C)c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ PRKDC P78527 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE10A Q9Y233 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PIK3CB P42338 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ DHFR P00374 2/20 0.36
▸ AKT1 P31749 1/20 0.35

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
SCHEMBL30783583 0.86 AKT1 (0.47) HTTPRKDCDRD2DRD4DRD3
SCHEMBL30783794 0.86 HTT (0.40) DPP4HTTALDH1A1KDM4EHPGD
SCHEMBL30784348 0.86 AKT1 (0.47) HTTPRKDCDRD2DRD4DRD3
SCHEMBL30783695 0.85 HTT (0.39) DPP4HTTALDH1A1KDM4EHPGD
SCHEMBL30783830 0.85 HTT (0.39) DPP4HTTALDH1A1KDM4EHPGD
SCHEMBL30784396 0.85 HTT (0.39) DPP4HTTALDH1A1KDM4EHPGD
SCHEMBL30784172 0.85 HTT (0.39) DPP4HTTALDH1A1KDM4EHPGD
SCHEMBL30784281 0.83 DPP4 (0.45) DPP4HTTALDH1A1KDM4EHPGD
SCHEMBL30784462 0.82 SOS1 (0.42) HTTALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL30784478 0.82 AKT1 (0.44) HTTPRKDCPIK3CBAKT1AKT2

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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