SCHEMBL20049828

SCHEMBL20049828

C=C(C)N(C)c1ncc(-c2cccc(C(F)(F)F)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ GRIN2B Q13224 16/20 0.47
▸ GRIN1 Q05586 8/20 0.43
▸ PARP1 P09874 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL20049873 0.88 GRIN2B (0.52) ALDH1A1L3MBTL1GRIN2BGRIN1PARP1
SCHEMBL25584017 0.85 GRIN2B (0.40) GRIN2BGAA
SCHEMBL20049831 0.84 GRIN2B (0.49) ALDH1A1L3MBTL1GRIN2BGRIN1PARP1
SCHEMBL25587614 0.83 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL25587638 0.81 ESR2 (0.46) ALDH1A1GRIN2BGRIN1
SCHEMBL20049788 0.78 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL20049861 0.77 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL20049967 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1GRIN2BGRIN1PARP1
SCHEMBL20049822 0.76 ALDH1A1 (0.51) ALDH1A1L3MBTL1GRIN2BGRIN1PARP1
SCHEMBL25587627 0.75 GRIN2B (0.46) 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
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