SCHEMBL20049967

SCHEMBL20049967

C=C(C)Nc1ncc(-c2cccc(C(F)(F)F)c2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GRIN2B Q13224 15/20 0.44
GRIN1 Q05586 14/20 0.44
PARP1 P09874 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41

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
SCHEMBL25585874 0.88 TOP2A (0.48) ALDH1A1L3MBTL1GRIN2BGRIN1PARP1
SCHEMBL20049970 0.84 GRM5 (0.43) ALDH1A1L3MBTL1GRIN2BGRIN1
SCHEMBL20049830 0.83 EGLN1 (0.41) GRIN2BGRIN1
SCHEMBL20049874 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1GRIN2BGRIN1PARP1
SCHEMBL20049948 0.82 ABL1 (0.43) ALDH1A1L3MBTL1GRIN2BGRIN1SLC1A3
SCHEMBL25586510 0.82 DHODH (0.46) GRIN2BGRIN1
SCHEMBL20049886 0.81 PSMB5 (0.42) ATM
SCHEMBL20049984 0.81 ESR2 (0.47) GRIN2BGRIN1
SCHEMBL25584752 0.78 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL20049842 0.78 NEK1 (0.43) GRIN2BGRIN1

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
EP-3523311-B1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed
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