SCHEMBL30784172

SCHEMBL30784172

CC(N)c1cc(Cl)cc2c(=O)n(C)c(N3CCOCC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ STAT6 P42226 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ PTPN11 Q06124 4/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL30784348 0.88 AKT1 (0.47) HTTKMT2ADRD2DRD4DRD3
SCHEMBL30783794 0.88 HTT (0.40) HTTSMN1; SMN2LMNASTAT6KMT2A
SCHEMBL30783583 0.88 AKT1 (0.47) HTTKMT2ADRD2DRD4DRD3
SCHEMBL30784396 0.87 HTT (0.39) HTTSMN1; SMN2LMNASTAT6KMT2A
SCHEMBL30783830 0.87 HTT (0.39) HTTSMN1; SMN2LMNASTAT6KMT2A
SCHEMBL30783695 0.87 HTT (0.39) HTTSMN1; SMN2LMNASTAT6KMT2A
SCHEMBL30784386 0.86 DPP4 (0.37) SMN1; SMN2LMNASTAT6KMT2ACYP3A4
SCHEMBL25360112 0.86 AKT1 (0.41) AKT1AKT2AKT3PTPN11
SCHEMBL25360117 0.86 AKT1 (0.41) AKT1AKT2AKT3PTPN11
SCHEMBL30494658 0.86 AKT1 (0.41) AKT1AKT2AKT3PTPN11

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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