SCHEMBL25587614

SCHEMBL25587614

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 9/20 0.42
▸ GRIN1 Q05586 3/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ HSD17B1 P14061 4/20 0.39
▸ HSD17B2 P37059 4/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.38
▸ FYN P06241 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ METAP2 P50579 1/20 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
SCHEMBL25584017 0.88 GRIN2B (0.40) GRIN2BMAP4K4EGLN1FYN
SCHEMBL25587638 0.86 ESR2 (0.46) GRIN2BGRIN1MAP4K4EGLN1FYN
SCHEMBL20049828 0.83 ALDH1A1 (0.51) GRIN2BGRIN1
SCHEMBL20049896 0.82 MKNK1 (0.43) FYN
SCHEMBL20049844 0.82 MAP4K4 (0.49) GRIN2BGRIN1MAP4K4HSD17B1HSD17B2
SCHEMBL20049788 0.81 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL25587627 0.77 GRIN2B (0.46) GRIN2BGRIN1
SCHEMBL25587712 0.77 GRIN2B (0.40) GRIN2BGRIN1
SCHEMBL25583605 0.77 NOS3 (0.39) —
SCHEMBL23319270 0.77 EGLN1 (0.46) GRIN2BGRIN1MAP4K4EGLN1

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-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
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