SCHEMBL28825459

SCHEMBL28825459

Fc1ccc([CH]c2cnccn2)cc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 17/20 0.42
GRIN1 Q05586 16/20 0.42
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
RXRA P19793 8/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL28825467 0.82 GRIN1 (0.42) GRIN2BGRIN1RAB9AKMT2ARXRA
SCHEMBL28825490 0.81 GRIN2B (0.41) GRIN2BGRIN1RXRAKCNH2
SCHEMBL28825500 0.80 RAB9A (0.40) GRIN2BGRIN1RAB9AKMT2A
SCHEMBL28825512 0.80 GRIN1 (0.42) GRIN2BGRIN1RAB9AKMT2AGAA
SCHEMBL28825529 0.77 GRIN2B (0.41) GRIN2BGRIN1RXRAKCNH2
SCHEMBL28825533 0.76 GRIN2B (0.41) GRIN2BGRIN1RXRAKCNH2
SCHEMBL28825646 0.75 GRIN2B (0.41) GRIN2BGRIN1RXRAKCNH2
SCHEMBL28825610 0.74 GRIN1 (0.45) GRIN2BGRIN1RXRA
SCHEMBL30112658 0.73 GRIN2B (0.52) GRIN2BGRIN1KCNH2
SCHEMBL28825619 0.72 GRIN2B (0.37) GRIN2BGRIN1RXRAKCNH2

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