SCHEMBL28825547

SCHEMBL28825547

Cc1c(F)ccc(-c2ncc(Cn3cccn3)cc2F)c1F

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
GRIN2B Q13224 17/20 0.43
GRIN1 Q05586 16/20 0.43
KLKB1 P03952 2/20 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
SCHEMBL28949597 0.93 GAA (0.42) GAAMAPTGRIN2BGRIN1KLKB1
SCHEMBL28825458 0.83 GAA (0.48) GAAMAPTGRIN2BGRIN1KLKB1
SCHEMBL28825510 0.80 GRIN2B (0.52) GAAMAPTGRIN2BGRIN1KLKB1
SCHEMBL28825448 0.79 GAA (0.47) GAAMAPTGRIN2BGRIN1KLKB1
SCHEMBL28825562 0.78 GAA (0.52) GAAMAPTGRIN2BGRIN1KLKB1
SCHEMBL28825483 0.77 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL28825487 0.76 GRIN2B (0.51) GAAMAPTGRIN2BGRIN1KLKB1
SCHEMBL28825653 0.76 GAA (0.44) GAAMAPTGRIN2BGRIN1KLKB1
SCHEMBL28825588 0.76 GAA (0.50) GAAMAPTGRIN2BGRIN1KLKB1
SCHEMBL28825473 0.76 GAA (0.46) GAAMAPTGRIN2BGRIN1KLKB1

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-114007610-A Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-02-01 CN claimed
CN-114007610-A Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-02-01 CN disclosed