SCHEMBL28825555

SCHEMBL28825555

COc1cc(Cn2cccn2)cnc1-c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.43
GRIN2B Q13224 4/20 0.43
PDE4B Q07343 2/20 0.42
KAT7 O95251 12/20 0.42
KAT6A Q92794 12/20 0.42
F2RL3 Q96RI0 1/20 0.39
KAT6B Q8WYB5 3/20 0.38
KAT5 Q92993 3/20 0.38
KAT8 Q9H7Z6 3/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL28949603 0.93 KCNH2 (0.45) GRIN1GRIN2BPDE4BKAT7KAT6A
SCHEMBL28949563 0.89 PDE4B (0.46) GRIN1GRIN2BPDE4BKAT7KAT6A
SCHEMBL28825511 0.86 PDE4B (0.48) GRIN1GRIN2BPDE4BKAT7KAT6A
SCHEMBL28694731 0.85 GRIN2B (0.43) GRIN1GRIN2BPDE4BKAT7KAT6A
SCHEMBL28964549 0.84 GAA (0.43) PDE4BKAT7KAT6AKAT6BKAT5
SCHEMBL28825491 0.83 PDE4B (0.49) GRIN1GRIN2BPDE4B
SCHEMBL28825498 0.81 KCNH2 (0.48) GRIN1GRIN2BGAAMAPT
SCHEMBL28825559 0.80 PDE4B (0.48) GRIN1GRIN2BPDE4BKAT7KAT6A
SCHEMBL28825499 0.80 KCNH2 (0.47) GRIN1GRIN2BGAAMAPT
SCHEMBL28825510 0.75 GRIN2B (0.52) GRIN1GRIN2BGAAMAPT

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