SCHEMBL30751343

SCHEMBL30751343

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.42
▸ ADORA3 P0DMS8 7/20 0.42
▸ ADORA2A P29274 5/20 0.42
▸ ADORA2B P29275 4/20 0.42
▸ KMO O15229 1/20 0.39
▸ PBK Q96KB5 4/20 0.39
▸ KDM5A P29375 1/20 0.36
▸ KDM5B Q9UGL1 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
SCHEMBL30751356 0.87 PBK (0.40) ADORA1ADORA3ADORA2AADORA2BPBK
SCHEMBL30751428 0.81 PBK (0.34) PBK
SCHEMBL6467180 0.78 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2BPBK
SCHEMBL21174489 0.76 KDM5B (0.47) ADORA1ADORA3ADORA2AADORA2BPBK
SCHEMBL31456975 0.75 GRIN2B (0.50) CYP3A4SMN1; SMN2
SCHEMBL21174272 0.74 NPC1 (0.44) LMNACYP1A2CYP3A4SMN1; SMN2
SCHEMBL18757752 0.73 AKT2 (0.40) ADORA1ADORA3ADORA2AKMO
SCHEMBL31456923 0.73 ALDH1A1 (0.46) ADORA1ADORA2AADORA2BLMNASMN1; SMN2
SCHEMBL19865524 0.72 EGLN1 (0.35) ADORA1ADORA2ACYP1A2MAPK1
SCHEMBL30751370 0.72 CALCA (0.40) ADORA1ADORA2AADORA2BPBKMAPK1

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
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
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
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