SCHEMBL20049804

SCHEMBL20049804

CC(=O)Nc1ncc(-c2cc(C)cs2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.44
GRIN1 Q05586 2/20 0.41
GSK3B P49841 2/20 0.40
SLC6A7 Q99884 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 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
SCHEMBL20049805 0.81 GRIN2B (0.40) GRIN2BGRIN1
SCHEMBL6984523 0.75 L3MBTL1 (0.42)
SCHEMBL20049979 0.74 GRIN1 (0.43) GRIN2BGRIN1GSK3B
SCHEMBL20049950 0.74 GSK3A (0.52) GSK3BHDAC1HDAC2
SCHEMBL25586500 0.73 HSD17B10 (0.47) GRIN2BGRIN1
SCHEMBL25544940 0.72 PIK3C3 (0.44) GRIN2BGRIN1SLC6A7
SCHEMBL21613634 0.71 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL25547252 0.69 GRIN2B (0.41) GRIN2BGRIN1GSK3B
SCHEMBL7091354 0.69 L3MBTL1 (0.40)
SCHEMBL19736372 0.69 AGBL2 (0.47)

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
WO-2018067786-A1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-12 WO disclosed