SCHEMBL28825518

SCHEMBL28825518

FC(F)Oc1ccc(-c2ccn(Cc3cncc(Cl)c3)n2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.48
GRIN1 Q05586 10/20 0.48
KCNH2 Q12809 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE4D Q08499 3/20 0.39

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
SCHEMBL28825538 0.91 GRIN2B (0.48) GRIN2BGRIN1KCNH2KDM4ETDP1
SCHEMBL28825478 0.90 GRIN2B (0.49) GRIN2BGRIN1KCNH2KDM4ETDP1
SCHEMBL28825482 0.88 GRIN2B (0.51) GRIN2BGRIN1KCNH2KDM4ETDP1
SCHEMBL28949575 0.80 GRIN2B (0.47) GRIN2BGRIN1KCNH2PDE4D
SCHEMBL28825489 0.78 GRIN2B (0.48) GRIN2BGRIN1KCNH2PDE4D
SCHEMBL28825543 0.77 GRIN2B (0.48) GRIN2BGRIN1KCNH2KDM4ETDP1
SCHEMBL28825488 0.76 GRIN2B (0.50) GRIN2BGRIN1KCNH2
SCHEMBL28825441 0.73 GRIN2B (0.46) GRIN2BGRIN1KCNH2KDM4E
SCHEMBL28949594 0.72 MAPT (0.44) GRIN2BGRIN1KCNH2KDM4ETDP1
SCHEMBL28825585 0.71 KDM4E (0.46) GRIN2BGRIN1KCNH2KDM4ETDP1

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