SCHEMBL17439172

SCHEMBL17439172

N#Cc1ccc(-c2nc(-c3ccc(C#N)cc3)c(C#N)c(-c3ccccc3)c2C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.56
ADORA2A P29274 12/20 0.54
GRM5 P41594 6/20 0.52
HSD17B10 Q99714 1/20 0.49
ADORA2B P29275 2/20 0.48

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
SCHEMBL398975 0.93 ADORA1 (0.62) ADORA1ADORA2AGRM5HSD17B10ADORA2B
SCHEMBL396360 0.85 ADORA1 (0.69) ADORA1ADORA2AGRM5ADORA2B
SCHEMBL395158 0.84 GRM5 (0.56) ADORA1ADORA2AGRM5HSD17B10ADORA2B
SCHEMBL23234347 0.83 ALDH1A3 (0.57) ADORA1ADORA2A
SCHEMBL23234338 0.83 ALDH1A3 (0.57) ADORA1ADORA2A
SCHEMBL23607308 0.83 ALDH1A3 (0.57) ADORA1ADORA2A
SCHEMBL24577294 0.82 ADORA1 (0.51) ADORA1ADORA2AGRM5HSD17B10ADORA2B
SCHEMBL10270250 0.81 GRM5 (0.55) ADORA1ADORA2AGRM5ADORA2B
SCHEMBL10270112 0.81 GRM5 (0.55) ADORA1ADORA2AGRM5ADORA2B
SCHEMBL11617077 0.79 TSHR (0.62)

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
US-10276817-B2 Stable organic photosensitive devices with exciton-blocking charge carrier filters utilizing high glass transition temperature materials UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-04-30 US disclosed
US-20160020418-A1 STABLE ORGANIC PHOTOSENSITIVE DEVICES WITH EXCITON-BLOCKING CHARGE CARRIER FILTERS UTILIZING HIGH GLASS TRANSITION TEMPERATURE MATERIALS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-01-21 US disclosed