SCHEMBL31331845

SCHEMBL31331845

CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc3nc(-c4ccc(C(F)(F)F)cc4)c(-c4ccc(C#N)cc4)nc3c2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 5/20 0.46
▸ SYK P43405 2/20 0.46
▸ CKS1B P61024 1/20 0.44
▸ SKP1 P63208 1/20 0.44
▸ SKP2 Q13309 1/20 0.44
▸ KDM4D Q6B0I6 3/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ SMPD3 Q9NY59 2/20 0.41
▸ MET P08581 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ CTSK P43235 2/20 0.40
▸ CETP P11597 1/20 0.40

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
SCHEMBL31331669 0.95 JAK3 (0.47) SUV39H2SYKKDM4DSCN9ADRD2
SCHEMBL31331874 0.92 SUV39H2 (0.47) SUV39H2SYKCKS1BSKP1SKP2
SCHEMBL31331751 0.92 SUV39H2 (0.47) SUV39H2SYKCKS1BSKP1SKP2
SCHEMBL31331931 0.91 SUV39H2 (0.48) SUV39H2SYKCKS1BSKP1SKP2
SCHEMBL31331898 0.91 SUV39H2 (0.48) SUV39H2SYKCKS1BSKP1SKP2
SCHEMBL31331744 0.91 SUV39H2 (0.45) SUV39H2SYKCKS1BSKP1SKP2
SCHEMBL31331768 0.90 SUV39H2 (0.50) SUV39H2CKS1BSKP1SKP2KDM4D
SCHEMBL31331798 0.88 JAK3 (0.48) SUV39H2SYKKDM4DDRD2MET
SCHEMBL31331787 0.88 JAK3 (0.48) SUV39H2SYKKDM4DDRD2MET
SCHEMBL31331894 0.87 JAK3 (0.49) SUV39H2SYKCKS1BSKP1SKP2

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
CN-119285613-A Substituted quinoxaline and quinazolinone compounds and uses thereof 河南中医药大学 2025-01-10 — — CN disclosed
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