SCHEMBL30828883

SCHEMBL30828883

Cn1ccc(-c2ccc3nc(C(N)=O)cn3c2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.45
EGLN1 Q9GZT9 11/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
NR4A2 P43354 1/20 0.41
LRRK2 Q5S007 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
CLK1 P49759 2/20 0.38
DYRK1A Q13627 2/20 0.38

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
SCHEMBL21033167 0.89 PTGS1 (0.47) EGLN1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL30845797 0.84 TGFBR1 (0.48) TGFBR1EGLN1NR4A2CLK1DYRK1A
SCHEMBL21033568 0.83 KDM4E (0.58) EGLN1
SCHEMBL30828848 0.82 PIK3CD (0.42) TGFBR1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL30845756 0.81 PIK3C3 (0.40) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL30845750 0.78 KDM4E (0.38) PIK3CDPIK3CAPIK3CBPI4KAPI4KB
SCHEMBL30845778 0.76 EGLN1 (0.64) TGFBR1EGLN1CLK1DYRK1A
SCHEMBL30845786 0.76 EGLN1 (0.63) TGFBR1EGLN1NR4A2
SCHEMBL29908155 0.75 USP30 (0.54) TGFBR1EGLN1CLK1
SCHEMBL30845746 0.74 TGFBR1 (0.49) TGFBR1EGLN1NR4A2CLK1DYRK1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN claimed
CN-111542523-B Heterocyclic compounds as PRMT5 inhibitors 朱比连特埃皮斯科瑞有限责任公司 2024-03-29 CN disclosed
EP-3704120-B1 HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS JUBILANT EPISCRIBE LLC (US) 2024-03-06 EP disclosed