SCHEMBL31456975

SCHEMBL31456975

O=C(O)c1ncnc2nc(C3CCN(C(=O)OCc4ccccc4)CC3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 12/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CYP2C19 P33261 1/20 0.47
▸ JAK2 O60674 3/20 0.46
▸ JAK1 P23458 3/20 0.46
▸ TYK2 P29597 3/20 0.46
▸ JAK3 P52333 2/20 0.46
▸ CYP2D6 P10635 3/20 0.45
▸ CYP2C9 P11712 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ PRMT5 O14744 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL31456970 0.91 GRIN2B (0.49) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27376333 0.89 GRIN2B (0.51) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31456935 0.89 GRIN2B (0.51) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31456954 0.86 GRIN2B (0.48) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31457044 0.83 AADAT (0.44) GRIN2B
SCHEMBL31456986 0.83 AADAT (0.44) GRIN2B
SCHEMBL27376355 0.77 GRIN2B (0.41) GRIN2B
SCHEMBL2307512 0.77 GRIN2B (0.72) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30751285 0.75 AADAT (0.43) GRIN2BMEN1KMT2ANPSR1
SCHEMBL30751267 0.75 AADAT (0.43) GRIN2BMEN1KMT2ANPSR1

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
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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