SCHEMBL29079557

SCHEMBL29079557

O=C(O)c1c(C2COCCN2)nn2cccnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 4/20 0.34
▸ KCNQ2 O43526 4/20 0.34
▸ HPGD P15428 2/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ITGB1 P05556 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PIK3CA P42336 3/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CSNK1D P48730 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PIK3R1 P27986 2/20 0.31
▸ MTOR P42345 2/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL26247268 0.75 APOBEC3A (0.41) KCNQ3KCNQ2HPGDAPOBEC3AAPOBEC3G
SCHEMBL29079617 0.74 JAK2 (0.41) —
SCHEMBL29079595 0.74 JAK2 (0.48) —
SCHEMBL31211879 0.71 HTR3A (0.37) HPGDAPOBEC3AAPOBEC3GSMN1; SMN2L3MBTL1
SCHEMBL31211865 0.71 HPGD (0.37) KCNQ3KCNQ2HPGDAPOBEC3AAPOBEC3G
SCHEMBL23728529 0.69 APOBEC3A (0.45) KCNQ3KCNQ2HPGDAPOBEC3AAPOBEC3G
SCHEMBL27230046 0.67 JAK2 (0.41) —
SCHEMBL23216990 0.67 HPGD (0.40) KCNQ3KCNQ2HPGDSMN1; SMN2L3MBTL1
SCHEMBL16619547 0.66 PIK3CG (0.45) APOBEC3AAPOBEC3GPIK3CAPIK3CDPIK3CB
SCHEMBL3714513 0.66 PIK3CG (0.51) HPGDAPOBEC3AAPOBEC3GSMN1; SMN2L3MBTL1

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
WO-2025011655-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 成都茵创园医药科技有限公司 2025-01-16 — — WO disclosed
CN-116925085-A IRAK degradation agent and application thereof 成都茵创园医药科技有限公司 2023-10-24 — — 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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