SCHEMBL31331825

SCHEMBL31331825

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.37
▸ ENPP2 Q13822 1/20 0.36
▸ SUV39H2 Q9H5I1 1/20 0.35
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ KDM4D Q6B0I6 2/20 0.35
▸ NAMPT P43490 3/20 0.35
▸ EGLN2 Q96KS0 2/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ NR3C2 P08235 3/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL31331950 0.92 GSK3B (0.38) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331663 0.92 SUV39H2 (0.38) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331874 0.87 SUV39H2 (0.47) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331787 0.86 JAK3 (0.48) DRD2SUV39H2KDM4DDPP4
SCHEMBL31331834 0.85 DRD2 (0.36) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331898 0.80 SUV39H2 (0.48) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331931 0.80 SUV39H2 (0.48) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331734 0.80 KDM4E (0.41) DRD2NAMPTKDM1A
SCHEMBL31331751 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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