SCHEMBL20159255

SCHEMBL20159255

CCCn1nc(C)nc1Br

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
GRM2 Q14416 1/20 0.33
ADORA1 P30542 1/20 0.31
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL23264381 0.82
SCHEMBL15573930 0.80 KMT2A (0.40) ADORA2AADORA2BGRM2ADORA1MAPT
SCHEMBL33266 0.77 ADORA2A (0.39) ADORA2AADORA2BMAPTPOLBCRHR1
SCHEMBL20159662 0.74 ADORA2A (0.37) ADORA2AADORA2BPOLBCRHR1
SCHEMBL22981076 0.69
SCHEMBL31267051 0.65 DGAT1 (0.37)
SCHEMBL10284719 0.63 NR1H3 (0.40) MAPT
SCHEMBL19286101 0.63 SLC9A1 (0.38) MAPT
SCHEMBL5280505 0.61 GRM2 (0.43) ADORA2AADORA2BGRM2POLB
SCHEMBL5280789 0.61 GRM2 (0.43) ADORA2AADORA2BGRM2

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
WO-2018087018-A1 PHENOXYTRIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2018-05-17 WO disclosed