SCHEMBL24529427

SCHEMBL24529427

CCNCc1cc(-c2cn3ncnc3c(OC)n2)c(OC)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 3/20 0.33
▸ CD274 Q9NZQ7 3/20 0.33
▸ PDCD1LG2 Q9BQ51 2/20 0.33
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ ACVR2A P27037 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31

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
SCHEMBL24529251 0.81 HCRTR2 (0.36) HCRTR2CD274PDCD1LG2
SCHEMBL24529160 0.81 HCRTR2 (0.49) HCRTR2
SCHEMBL24529426 0.80 HCRTR2 (0.41) HCRTR2TLR9TLR8TLR7ACVR2A
SCHEMBL27181057 0.77 HCRTR2 (0.43) HCRTR2
SCHEMBL27181053 0.77 HCRTR2 (0.43) HCRTR2
SCHEMBL24386989 0.72 HCRTR2 (0.41) HCRTR2
SCHEMBL24529233 0.71 HCRTR2 (0.41) HCRTR2TLR9TLR8TLR7PIK3CD
SCHEMBL24387010 0.70 HCRTR2 (0.34) HCRTR2
SCHEMBL24387056 0.69 HCRTR2 (0.34) HCRTR2TLR9TLR8TLR7
SCHEMBL29749845 0.68 HCRTR2 (0.37) HCRTR2

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
WO-2022132696-A1 UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-06-23 — — WO disclosed
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