SCHEMBL31331663

SCHEMBL31331663

COc1ccc(-c2nc3ccc(N4CCNC(NC(=O)OC(C)(C)C)C4)cc3nc2-c2ccc(C#N)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.38
▸ PDE2A O00408 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ RET P07949 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KIT P10721 3/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CKS1B P61024 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 0.92 KDM1A (0.38) SUV39H2KDM1ADRD2KDM4EALDH1A1
SCHEMBL31331825 0.92 DRD2 (0.37) SUV39H2KDM1ADRD2CKS1BSKP1
SCHEMBL31331950 0.92 GSK3B (0.38) SUV39H2KDM1ADRD2CKS1BSKP1
SCHEMBL31331768 0.88 SUV39H2 (0.50) SUV39H2PDE2AKDM1ADRD2CKS1B
SCHEMBL31331831 0.86 BTK (0.47) SUV39H2RETDRD2KDM4D
SCHEMBL31331834 0.85 DRD2 (0.36) SUV39H2KDM1ARETDRD2CKS1B
SCHEMBL31331727 0.82 KDM1A (0.44) KDM1AUSP2CYP1A2TSHRMAPK1
SCHEMBL31331931 0.79 SUV39H2 (0.48) SUV39H2DRD2CKS1BSKP1SKP2
SCHEMBL31331898 0.79 SUV39H2 (0.48) SUV39H2DRD2CKS1BSKP1SKP2
SCHEMBL31331744 0.79 SUV39H2 (0.45) SUV39H2KDM1ADRD2KITCKS1B

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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