SCHEMBL28825485

SCHEMBL28825485

COc1cc(Cn2cccn2)cnc1-c1ccc(Cl)c(OC(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.48
GRIN2B Q13224 11/20 0.48
PDE4B Q07343 2/20 0.48
GRIN1 Q05586 5/20 0.46

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 0.90 GRIN2B (0.53) KCNH2GRIN2BPDE4BGRIN1
SCHEMBL28825491 0.89 PDE4B (0.49) KCNH2GRIN2BPDE4BGRIN1
SCHEMBL28825479 0.89 KCNH2 (0.49) KCNH2GRIN2BPDE4BGRIN1
SCHEMBL28825540 0.89 KCNH2 (0.49) KCNH2GRIN2BPDE4BGRIN1
SCHEMBL28825466 0.87 GRIN2B (0.44) KCNH2GRIN2BPDE4BGRIN1
SCHEMBL28825559 0.87 PDE4B (0.48) GRIN2BPDE4BGRIN1
SCHEMBL28825511 0.84 PDE4B (0.48) KCNH2GRIN2BPDE4BGRIN1
SCHEMBL28694731 0.81 GRIN2B (0.43) KCNH2GRIN2BPDE4BGRIN1
SCHEMBL28949563 0.81 PDE4B (0.46) GRIN2BPDE4BGRIN1
SCHEMBL28964549 0.80 GAA (0.43) PDE4B

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