SCHEMBL23020172

SCHEMBL23020172

N#Cc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2ccc(-c3ccc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc3)c3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.49
SQOR Q9Y6N5 2/20 0.46
TGFBR1 P36897 1/20 0.43
MYC P01106 1/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
KCNH2 Q12809 1/20 0.39
DHODH Q02127 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
SCHEMBL23020169 0.92 GRM5 (0.49) GRM5SQOR
SCHEMBL23020086 0.92 GRM5 (0.46) GRM5SQORTGFBR1CCR1CCR5
SCHEMBL23020088 0.91 GRM5 (0.45) GRM5SQORTGFBR1CCR1CCR5
SCHEMBL23020137 0.88 GRM5 (0.49) GRM5SQORTGFBR1DHODH
SCHEMBL23020173 0.87 GRM5 (0.39) GRM5SQORTGFBR1MYCKCNH2
SCHEMBL23020222 0.87 GRM5 (0.48) GRM5SQORTGFBR1CCR1CCR5
SCHEMBL22652775 0.86 MAPK1 (0.48) GRM5DHODH
SCHEMBL23020108 0.85 GRM5 (0.42) GRM5SQORTGFBR1MYCKCNH2
SCHEMBL23020076 0.84 GRM5 (0.47) GRM5TGFBR1
SCHEMBL23020430 0.83 GRM5 (0.52) GRM5SQORKCNH2

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