SCHEMBL31331744

SCHEMBL31331744

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 5/20 0.45
▸ SMPD3 Q9NY59 2/20 0.44
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ KDM4D Q6B0I6 3/20 0.42
▸ GPR6 P46095 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ BTK Q06187 2/20 0.40
▸ KIT P10721 1/20 0.40
▸ MET P08581 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ CTSK P43235 1/20 0.39

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
SCHEMBL31331802 0.95 JAK3 (0.46) SUV39H2SMPD3KDM4DGPR6KDM1A
SCHEMBL31331768 0.92 SUV39H2 (0.50) SUV39H2CKS1BSKP1SKP2KDM4D
SCHEMBL31331845 0.91 SUV39H2 (0.46) SUV39H2SMPD3CKS1BSKP1SKP2
SCHEMBL31331874 0.91 SUV39H2 (0.47) SUV39H2SMPD3CKS1BSKP1SKP2
SCHEMBL31331931 0.90 SUV39H2 (0.48) SUV39H2SMPD3CKS1BSKP1SKP2
SCHEMBL31331898 0.90 SUV39H2 (0.48) SUV39H2SMPD3CKS1BSKP1SKP2
SCHEMBL31331751 0.89 SUV39H2 (0.47) SUV39H2SMPD3CKS1BSKP1SKP2
SCHEMBL31331831 0.87 BTK (0.47) SUV39H2KDM4DDRD2BTKMET
SCHEMBL31331669 0.86 JAK3 (0.47) SUV39H2KDM4DKDM1ADRD2BTK
SCHEMBL31331787 0.86 JAK3 (0.48) SUV39H2KDM4DDRD2BTKMET

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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