SCHEMBL28685442

SCHEMBL28685442

CC(C)(C(N)=O)n1ncc2ncc(-c3ccnc(C(F)(F)F)c3)cc21

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 16/20 0.53
▸ GRIN1 Q05586 14/20 0.53
▸ PIK3C3 Q8NEB9 1/20 0.38
▸ GRM2 Q14416 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL22775651 0.82 GRIN1 (0.57) GRIN2BGRIN1
SCHEMBL29550534 0.82 GRIN1 (0.57) GRIN2BGRIN1
SCHEMBL28522008 0.82 GRIN2B (0.60) GRIN2BGRIN1PIK3C3
SCHEMBL28687512 0.81 GRIN2B (0.55) GRIN2BGRIN1IRAK4
SCHEMBL28699350 0.77 GRIN2B (0.53) GRIN2BGRIN1
SCHEMBL22775590 0.75 GRIN2B (0.71) GRIN2BGRIN1
SCHEMBL29550475 0.75 GRIN2B (0.71) GRIN2BGRIN1
SCHEMBL22775704 0.72 GRIN2B (0.72) GRIN2BGRIN1PDE4B
SCHEMBL29550290 0.72 GRIN2B (0.72) GRIN2BGRIN1PDE4B
SCHEMBL22775601 0.70 GRIN2B (0.57) GRIN2BGRIN1

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
CN-113993868-A Substituted pyrazolopyridinamides and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 — — CN claimed
CN-113993868-A Substituted pyrazolopyridinamides and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 — — CN disclosed
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