SCHEMBL29465746

SCHEMBL29465746

CC(F)(F)c1cc(-c2cnc3cn[nH]c3n2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 3/20 0.50
GRIN2B Q13224 12/20 0.49
GRIN1 Q05586 9/20 0.43
KCNH2 Q12809 3/20 0.43
MAPK1 P28482 1/20 0.40
RPS6KB1 P23443 2/20 0.39
RPS6KA5 O75582 1/20 0.38
RPS6KA4 O75676 1/20 0.38
RPS6KA3 P51812 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
RPS6KB2 Q9UBS0 1/20 0.38
RPS6KA6 Q9UK32 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
SCHEMBL22772840 1.00 SGK1 (0.50) SGK1GRIN2BGRIN1KCNH2MAPK1
SCHEMBL22772817 0.86 SGK1 (0.52) SGK1GRIN2BGRIN1MAPK1
SCHEMBL29465747 0.86 SGK1 (0.52) SGK1GRIN2BGRIN1MAPK1
SCHEMBL22771356 0.78 GRIN2B (0.51) GRIN2BGRIN1KCNH2
SCHEMBL22772822 0.77 SGK1 (0.50) SGK1GRIN2BGRIN1KCNH2MAPK1
SCHEMBL30014996 0.75 SGK1 (0.47) SGK1GRIN2BMAPK1
SCHEMBL30014865 0.75 SGK1 (0.49) SGK1GRIN2BMAPK1
SCHEMBL22772832 0.73 GRIN2B (0.52) SGK1GRIN2BGRIN1KCNH2
SCHEMBL28685790 0.72 GRIN2B (0.44) GRIN2BGRIN1KCNH2
SCHEMBL19398615 0.71 GRIN2B (0.52) GRIN2BGRIN1KCNH2RPS6KA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983413-A1 SUBSTITUTED PYRAZOLO-PYRAZINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed