SCHEMBL31456919

SCHEMBL31456919

COC(=O)c1nc(C(N)=O)c2[nH]c(C3CCCC3)nc2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ ADORA1 P30542 11/20 0.37
▸ ADORA3 P0DMS8 7/20 0.36
▸ ADORA2B P29275 6/20 0.35
▸ ADORA2A P29274 5/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL27374309 0.75 PBK (0.39) LMNAADORA1ADORA3ADORA2BADORA2A
SCHEMBL30751356 0.73 PBK (0.40) LMNAADORA1ADORA3ADORA2BADORA2A
SCHEMBL4753462 0.67 CYP2D6 (0.40) LMNAADORA3ADORA2BADORA2APDE4A
SCHEMBL11480013 0.66 PARP1 (0.39) ADORA2BADORA2ASMN1; SMN2PARP1
SCHEMBL25427079 0.65 KDM4E (0.38) LMNACYP3A4
SCHEMBL27343202 0.65 NPSR1 (0.36) LMNACYP1A2CYP3A4
SCHEMBL1581014 0.63 PDE4A (0.66) ADORA1ADORA3PDE4APDE4BPDE4C
SCHEMBL1554161 0.63 PDE4A (0.58) ADORA1ADORA3PDE4APDE4BPDE4C
SCHEMBL30751343 0.63 ADORA1 (0.42) LMNAADORA1ADORA3ADORA2BADORA2A
SCHEMBL27374320 0.63 ADORA1 (0.42) LMNAADORA1ADORA3ADORA2BADORA2A

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-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 claimed
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
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