SCHEMBL27370878

SCHEMBL27370878

CCc1cnn2c(NCc3ccc(O)nc3)cc(-c3ccccc3)nc12

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.72
▸ CDK2 P24941 13/20 0.64
▸ CCNE1 P24864 11/20 0.64
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL13146697 0.90 GSK3B (0.71) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL27369472 0.89 GSK3B (0.76) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12953189 0.87 GSK3B (0.71) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL27370456 0.86 GSK3B (0.69) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL30356813 0.85 GSK3B (0.70) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12953359 0.84 GSK3B (0.69) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12953029 0.84 GSK3B (1.00) GSK3BCDK2CCNE1
SCHEMBL12953181 0.80 GSK3B (0.64) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL12954514 0.79 GSK3B (0.61) GSK3BCDK2CCNE1MEN1NPC1
SCHEMBL27370860 0.78 CDK2 (0.47) GSK3BCDK2CCNE1MEN1KMT2A

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
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
WO-2023059582-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 — — WO disclosed
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