SCHEMBL31413370

SCHEMBL31413370

COC(=O)c1ccc2nc(N3C[C@@H]4C[C@H]3CO4)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.53
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KCNQ3 O43525 1/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ PDE10A Q9Y233 2/20 0.42
▸ PIK3R1 P27986 5/20 0.41
▸ PIK3CA P42336 5/20 0.41
▸ MAP3K7 O43318 2/20 0.40
▸ MAP3K12 Q12852 2/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ STK17A Q9UEE5 1/20 0.38

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
SCHEMBL27142605 1.00 MCHR1 (0.53) MCHR1ALOX15HTTKCNQ3KCNQ2
SCHEMBL27142101 0.80 PDE10A (0.48) ALOX15HTTPDE10APDE4BHRH3
SCHEMBL31413425 0.80 PDE10A (0.48) ALOX15HTTPDE10APDE4BHRH3
SCHEMBL27146407 0.79 HTT (0.48) ALOX15HTTPDE10APIK3CAPDE4B
SCHEMBL31413452 0.79 HTT (0.48) ALOX15HTTPDE10APIK3CAPDE4B
SCHEMBL31413450 0.77 PDE10A (0.48) ALOX15HTTPDE10APDE4BHRH3
SCHEMBL27140318 0.77 MCHR1 (0.49) MCHR1PDE10APIK3R1PIK3CAMAP3K7
SCHEMBL27144412 0.77 PDE10A (0.48) ALOX15HTTPDE10APDE4BHRH3
SCHEMBL27139189 0.77 MCHR1 (0.56) MCHR1PDE10APIK3R1PIK3CAMAP3K7
SCHEMBL31413459 0.76 ALOX15 (0.45) ALOX15HTTPDE10APDE4BHRH3

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-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
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