SCHEMBL28949569

SCHEMBL28949569

Cc1cc(-c2cc(F)cc(F)c2)ncc1Cn1cccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRM5 P41594 5/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
BRD4 O60885 1/20 0.35
MET P08581 2/20 0.34
KAT7 O95251 3/20 0.33
KAT6A Q92794 3/20 0.33
ADCY10 Q96PN6 1/20 0.33
KLKB1 P03952 1/20 0.33
KAT6B Q8WYB5 1/20 0.32
KAT5 Q92993 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32

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
SCHEMBL28825445 0.84 GRIN2B (0.51) GRIN2BGRIN1KCNH2KLKB1
SCHEMBL28825565 0.84 GRIN2B (0.43) GRIN2BGRIN1GAAMAPTBRD4
SCHEMBL28825483 0.77 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL28825473 0.74 GAA (0.46) GRIN2BGRIN1KCNH2GAAMAPT
SCHEMBL28028438 0.71 MAPT (0.35) GRIN2BGRIN1GAAMAPTBRD4
SCHEMBL30046359 0.69 HTT (0.47) GAAMAPTBRD4KAT7KAT6A
SCHEMBL31735733 0.69 AGBL2 (0.48) GRIN2BGRM5
SCHEMBL28825573 0.68 GRIN2B (0.41) GRIN2BGRIN1GAAMAPTBRD4
SCHEMBL31432587 0.66 PDE4A (0.40) GRIN2BGAAMAPTBRD4KAT7
SCHEMBL31735547 0.65 GRM5 (0.39) GRM5MET

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