SCHEMBL30532165

SCHEMBL30532165

Cn1c(=O)[nH]c2ccc(-c3ccc(C(F)F)s3)nc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ GRIN1 Q05586 10/20 0.37
▸ GRIN2B Q13224 10/20 0.37
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IDH1 O75874 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL30176775 0.80 GRIN2B (0.54) PDE3BPDE3AGRIN1GRIN2BLMNA
SCHEMBL30532154 0.78 KDM4E (0.45) GAAKDM4EPDE3BPDE3AGRIN1
SCHEMBL30532173 0.73 KDM4E (0.43) GAAKDM4EPDE3BPDE3AGRIN1
SCHEMBL11223721 0.71 KDM4E (0.51) GAAKDM4EPDE3BPDE3ALMNA
SCHEMBL5329685 0.70 KDM4E (0.58) GAAKDM4EPDE3BPDE3ALMNA
SCHEMBL31217710 0.70 KDM4E (0.58) GAAKDM4EPDE3BPDE3ALMNA
SCHEMBL2268013 0.69 KDM4E (0.59) GAAKDM4EPDE3BPDE3ALMNA
SCHEMBL16510484 0.68 KDM4E (0.46) GAAKDM4EPDE3BPDE3ALMNA
SCHEMBL14609834 0.67 KDM4E (0.58) GAAKDM4EPDE3BPDE3ALMNA
SCHEMBL30532178 0.67 GRIN2B (0.44) PDE3BPDE3AGRIN1GRIN2BLMNA

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
EP-3523311-B1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 — — EP disclosed
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