SCHEMBL27374309

SCHEMBL27374309

COC(=O)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PBK Q96KB5 4/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ ADORA1 P30542 10/20 0.37
▸ ADORA3 P0DMS8 7/20 0.37
▸ ADORA2A P29274 4/20 0.36
▸ ADORA2B P29275 3/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL30751343 0.84 ADORA1 (0.42) PBKADORA1ADORA3ADORA2AADORA2B
SCHEMBL30751356 0.83 PBK (0.40) PBKADORA1ADORA3ADORA2AADORA2B
SCHEMBL31456970 0.77 GRIN2B (0.49) ADORA1ADORA2ACYP2D6CYP2C9CYP3A4
SCHEMBL31456919 0.75 LMNA (0.37) PDE4APDE4BPDE4CPDE4DADORA1
SCHEMBL6467180 0.74 ADORA1 (0.44) PBKADORA1ADORA3ADORA2AADORA2B
SCHEMBL8231782 0.73 PBK (0.61) PBKPDE4APDE4BPDE4CPDE4D
SCHEMBL21174272 0.72 NPC1 (0.44) LMNACYP1A2CYP3A4SMN1; SMN2
SCHEMBL30751285 0.71 AADAT (0.43) LMNA
SCHEMBL30751267 0.71 AADAT (0.43) LMNA
SCHEMBL4753462 0.71 CYP2D6 (0.40) PDE4APDE4BPDE4CPDE4DADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4567035-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Nextgen Bioscience Co., Ltd. (KR) 2025-06-11 — — EP disclosed
CN-119654324-A Novel compounds as hypoxia inducible factor 1 (HIF-1) inhibitors or Vascular Endothelial Growth Factor (VEGF) inhibitors and pharmaceutical compositions comprising the same 株式会社次代生物科学 2025-03-18 — — CN disclosed
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 — — WO disclosed
WO-2024030000-A1 NOVEL COMPOUND AS HYPOXIA-INDUCIBLE FACTOR 1(HIF-1) INHIBITOR OR VASCULAR ENDOTHELIAL GROWTH FACTOR (VEGF) INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 넥스트젠바이오사이언스 2024-02-08 — — WO disclosed
Send feedback