SCHEMBL31331955

SCHEMBL31331955

Cc1ccc(-c2nc3ccc(N4CCNC(NC(=O)OC(C)(C)C)C4)cc3nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 10/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ SUV39H2 Q9H5I1 2/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ KDM4D Q6B0I6 1/20 0.35
▸ EGLN2 Q96KS0 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ACHE P22303 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
SCHEMBL31331825 0.93 DRD2 (0.37) KDM1ADRD2SUV39H2CKS1BSKP1
SCHEMBL31331950 0.93 GSK3B (0.38) KDM1ADRD2SUV39H2CKS1BSKP1
SCHEMBL31331663 0.92 SUV39H2 (0.38) KDM1ADRD2SUV39H2CKS1BSKP1
SCHEMBL31331931 0.87 SUV39H2 (0.48) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331898 0.87 SUV39H2 (0.48) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331834 0.86 DRD2 (0.36) KDM1ADRD2SUV39H2CKS1BSKP1
SCHEMBL31331894 0.86 JAK3 (0.49) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331766 0.80 KDM1A (0.46) KDM1AKDM4EALDH1A1GAAMAPT
SCHEMBL31331874 0.80 SUV39H2 (0.47) DRD2SUV39H2CKS1BSKP1SKP2
SCHEMBL31331751 0.80 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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