SCHEMBL30408161

SCHEMBL30408161

O=C(O)c1c(N2C[C@H]3C[C@@H]2CO3)nn2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.40
▸ PDE10A Q9Y233 1/20 0.36
▸ MAPK1 P28482 5/20 0.36
▸ GRM4 Q14833 2/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MAP3K12 Q12852 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
SCHEMBL29546513 0.90 IRAK4 (0.39) IRAK4PDE10AMAPK1GRM4NAMPT
SCHEMBL31211952 0.78 L3MBTL1 (0.36) HPGDSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL31211879 0.77 HTR3A (0.37) HPGDSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL31211865 0.74 HPGD (0.37) IRAK4HPGDSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL31211807 0.72 ALDH1A1 (0.38) MAPK1SMN1; SMN2APOBEC3AAPOBEC3GPIK3CA
SCHEMBL29692638 0.72 ALDH1A1 (0.38) MAPK1SMN1; SMN2APOBEC3AAPOBEC3GPIK3CA
SCHEMBL25338101 0.71 SMPD3 (0.46) IRAK4APOBEC3AAPOBEC3G
SCHEMBL31211998 0.71 SMPD3 (0.42) IRAK4APOBEC3AAPOBEC3G
SCHEMBL31211956 0.70 SMPD3 (0.44) IRAK4APOBEC3AAPOBEC3G
SCHEMBL31211922 0.69 APOBEC3A (0.38) IRAK4HPGDSMN1; SMN2APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116648248-B Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2025-04-15 — — CN disclosed
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
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