SCHEMBL29888131

SCHEMBL29888131

O=c1[nH]cccc1Cn1c(=O)[nH]c2ncc(-c3cccc(C(F)(F)F)c3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 1.00
GRIN2B Q13224 20/20 1.00

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
SCHEMBL20134381 1.00 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29887735 0.83 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20134045 0.83 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20134216 0.83 GRIN1 (0.88) GRIN1GRIN2B
SCHEMBL20134502 0.83 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29887533 0.83 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29888646 0.82 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20134053 0.82 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20134400 0.82 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29887773 0.82 GRIN1 (1.00) GRIN1GRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989164-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2024-08-13 CN claimed
CN-114989164-A Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2022-09-02 CN claimed
CN-114989164-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2024-08-13 CN disclosed