SCHEMBL21613655

SCHEMBL21613655

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

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.44
▸ GRIN2B Q13224 16/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ GRIN1 Q05586 7/20 0.40
▸ PTPN5 P54829 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
SCHEMBL21613508 0.82 EGLN1 (0.44) EGLN1GRIN2BMAP4K4GRIN1
SCHEMBL23319270 0.82 EGLN1 (0.46) EGLN1GRIN2BMAP4K4GRIN1
SCHEMBL21613480 0.81 EGLN1 (0.45) EGLN1GRIN2BMAP4K4GRIN1
SCHEMBL21613470 0.77 EGLN1 (0.44) EGLN1GRIN2BMAP4K4GRIN1
SCHEMBL23319236 0.72 EGLN1 (0.49) EGLN1GRIN2BMAP4K4GRIN1
SCHEMBL21613439 0.72 MAP4K4 (0.42) EGLN1GRIN2BMAP4K4GRIN1
SCHEMBL21613598 0.71 EGLN1 (0.42) EGLN1GRIN2BMAP4K4GRIN1
SCHEMBL20049830 0.70 EGLN1 (0.41) EGLN1GRIN2BMAP4K4GRIN1
SCHEMBL25586500 0.70 HSD17B10 (0.47) EGLN1GRIN2BGRIN1
SCHEMBL20049894 0.69 MAP4K4 (0.45) EGLN1GRIN2BMAP4K4GRIN1

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-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 — — EP disclosed
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