SCHEMBL31456954

SCHEMBL31456954

N#Cc1ncnc2nc(C3CCN(C(=O)OCc4ccccc4)CC3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 12/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CYP2C19 P33261 1/20 0.45
▸ JAK2 O60674 3/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ TYK2 P29597 3/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ CYP2D6 P10635 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ PRMT5 O14744 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL27376333 0.87 GRIN2B (0.51) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31456935 0.87 GRIN2B (0.51) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL31456975 0.86 GRIN2B (0.50) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL30751365 0.84 AADAT (0.42) GRIN2B
SCHEMBL30751369 0.84 AADAT (0.42) GRIN2B
SCHEMBL31456970 0.83 GRIN2B (0.49) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2711765 0.75 USP2 (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2711762 0.75 GRIN2B (0.54) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2307512 0.74 GRIN2B (0.72) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL171260 0.73 FNTA (0.55) GRIN2BSMN1; SMN2NPC1RAB9ACYP2C19

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 1 patent. 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 disclosed
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