SCHEMBL30784462

SCHEMBL30784462

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 9/20 0.42
▸ HTT P42858 1/20 0.37
▸ PDE2A O00408 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ AKT2 P31751 1/20 0.35
▸ AKT3 Q9Y243 1/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34
▸ DGKZ Q13574 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL25358167 0.88 AKT1 (0.40) PDE2AAKT1AKT2AKT3PIK3CA
SCHEMBL30494860 0.88 AKT1 (0.40) PDE2AAKT1AKT2AKT3PIK3CA
SCHEMBL25358173 0.88 AKT1 (0.40) PDE2AAKT1AKT2AKT3PIK3CA
SCHEMBL30783794 0.87 HTT (0.40) SOS1HTTDRD2DRD4DRD3
SCHEMBL30783830 0.86 HTT (0.39) HTTDRD2DRD4DRD3KMT2A
SCHEMBL30784396 0.86 HTT (0.39) HTTDRD2DRD4DRD3KMT2A
SCHEMBL30783583 0.85 AKT1 (0.47) HTTDRD2DRD4DRD3KMT2A
SCHEMBL30784348 0.85 AKT1 (0.47) HTTDRD2DRD4DRD3KMT2A
SCHEMBL30783695 0.84 HTT (0.39) HTTDRD2DRD4DRD3KMT2A
SCHEMBL30784172 0.84 HTT (0.39) HTTDRD2DRD4DRD3KMT2A

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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