SCHEMBL31331950

SCHEMBL31331950

CC(C)(C)OC(=O)NC1CN(c2ccc3nc(-c4ccncc4)c(-c4ccc(C#N)cc4)nc3c2)CCN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ SUV39H2 Q9H5I1 2/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ KDM4D Q6B0I6 5/20 0.35
▸ EGLN2 Q96KS0 2/20 0.34
▸ KDM6A O15550 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ MET P08581 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ NAMPT P43490 2/20 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
SCHEMBL31331955 0.93 KDM1A (0.38) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331825 0.92 DRD2 (0.37) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331663 0.92 SUV39H2 (0.38) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331751 0.87 SUV39H2 (0.47) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331798 0.86 JAK3 (0.48) DRD2SUV39H2KDM4DKDM6AMET
SCHEMBL31331834 0.85 DRD2 (0.36) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331931 0.80 SUV39H2 (0.48) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331898 0.80 SUV39H2 (0.48) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331845 0.80 SUV39H2 (0.46) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331874 0.79 SUV39H2 (0.47) DRD2SUV39H2CKS1BSKP1SKP2

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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