SCHEMBL30751453

SCHEMBL30751453

O=C(NCc1cccc(-c2cnn(-c3ccc(F)cc3)c2)c1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 4/20 0.37
▸ SMO Q99835 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ WDR5 P61964 5/20 0.36
▸ BTK Q06187 2/20 0.36
▸ TP53 P04637 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NR2E3 Q9Y5X4 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
SCHEMBL30751438 0.93 GSK3B (0.39) ADORA1TP53NR2E3
SCHEMBL27375170 0.92 MET (0.37) SMOBTKNR2E3
SCHEMBL30751355 0.92 MET (0.37) SMOBTKNR2E3
SCHEMBL27376866 0.91 MET (0.37) SMOBTKNR2E3
SCHEMBL31456927 0.91 SMN1; SMN2 (0.39) SMOADORA1BTK
SCHEMBL27377070 0.91 SMN1; SMN2 (0.39) SMOADORA1BTK
SCHEMBL27376939 0.90 GRIN2B (0.38) CCR1SMOADORA1BTKTP53
SCHEMBL31456924 0.90 GRIN2B (0.38) CCR1SMOADORA1BTKTP53
SCHEMBL30751430 0.89 SMO (0.37) SMOADORA1BTKNR2E3
SCHEMBL31456920 0.89 SMO (0.37) SMOBTK

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
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
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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