SCHEMBL28825541

SCHEMBL28825541

CC(F)(F)c1cc([CH]c2cccnn2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 14/20 0.40
GRIN1 Q05586 13/20 0.40
RXRA P19793 10/20 0.35
KCNH2 Q12809 4/20 0.32
IDO1 P14902 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
SCHEMBL28525148 0.81 NFE2L2 (0.40) GRIN2BGRIN1
SCHEMBL28949583 0.80 GRIN2B (0.36) GRIN2BGRIN1RXRA
SCHEMBL28825515 0.77 GRIN1 (0.38) GRIN2BGRIN1RXRAKCNH2
SCHEMBL28825460 0.76 ALOX5 (0.46) GRIN2BGRIN1IDO1
SCHEMBL28825536 0.75 GRIN2B (0.37) GRIN2BGRIN1RXRA
SCHEMBL28825533 0.71 GRIN2B (0.41) GRIN2BGRIN1RXRAKCNH2
SCHEMBL28825486 0.71 NFE2L2 (0.47)
SCHEMBL28825530 0.71 GRIN2B (0.40) GRIN2BGRIN1RXRAKCNH2IDO1
SCHEMBL28825608 0.69 GRIN2B (0.40) GRIN2BGRIN1RXRAKCNH2IDO1
SCHEMBL28825493 0.68 GRIN1 (0.36) 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-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