SCHEMBL23020169

SCHEMBL23020169

N#Cc1cccc(-c2cc(C#N)cc(-c3ccc(-c4ccc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4)c4ccccc34)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.49
SQOR Q9Y6N5 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.42
PDK2 Q15119 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
SCHEMBL23020172 0.92 GRM5 (0.49) GRM5SQOR
SCHEMBL23020086 0.91 GRM5 (0.46) GRM5SQORABCG2
SCHEMBL23020088 0.88 GRM5 (0.45) GRM5SQOR
SCHEMBL23020222 0.84 GRM5 (0.48) GRM5SQOR
SCHEMBL22064694 0.83 GRM5 (0.55) GRM5CLK4
SCHEMBL22987003 0.83 GABRG2 (0.52) SQORCLK4PDK2
SCHEMBL22986972 0.83 GABRG2 (0.55) SQORCLK4PDK2
SCHEMBL22987006 0.83 GABRG2 (0.55) SQORCLK4PDK2
SCHEMBL23020137 0.83 GRM5 (0.49) GRM5SQORCLK4ABCG2
SCHEMBL22065467 0.82 GRM5 (0.54) GRM5CLK4

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-3392242-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-02-24 EP disclosed