SCHEMBL28825540

SCHEMBL28825540

Fc1cc(Cn2cccn2)cnc1-c1ccc(Cl)c(OC(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.49
GRIN2B Q13224 11/20 0.49
GRIN1 Q05586 5/20 0.46
PDE4B Q07343 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL28825520 0.93 GRIN2B (0.53) KCNH2GRIN2BGRIN1PDE4BGAA
SCHEMBL28825479 0.92 KCNH2 (0.49) KCNH2GRIN2BGRIN1PDE4B
SCHEMBL28949576 0.91 KCNH2 (0.49) KCNH2GRIN2BGRIN1PDE4B
SCHEMBL28825485 0.89 KCNH2 (0.48) KCNH2GRIN2BGRIN1PDE4B
SCHEMBL28825492 0.85 KCNH2 (0.48) KCNH2GRIN2BGRIN1PDE4B
SCHEMBL28825588 0.84 GAA (0.50) KCNH2GRIN2BGRIN1PDE4BGAA
SCHEMBL28825442 0.83 PDE4B (0.55) KCNH2GRIN2BGRIN1PDE4BGAA
SCHEMBL28825562 0.81 GAA (0.52) GRIN2BGRIN1PDE4BGAAMAPT
SCHEMBL28931688 0.81 KCNH2 (0.45) KCNH2GRIN2BGRIN1GAAMAPT
SCHEMBL28825448 0.80 GAA (0.47) GRIN2BGRIN1PDE4BGAAMAPT

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