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SCHEMBL253477

SCHEMBL253477

N#Cc1c(N)nc(SCc2cccc(C(=O)O)c2)c(C#N)c1-c1ccccc1.N#Cc1c(Nc2ccccc2)nc(SCc2cccc(C(=O)O)c2)c(C#N)c1-c1ccc(OCCO)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 20/20 0.64
▸ ADORA2B P29275 2/20 0.59
▸ ADORA2A P29274 3/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.50

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
SCHEMBL382292 0.91 ADORA1 (0.76) ADORA1ADORA2BADORA2AADORA3SLC6A3
SCHEMBL12503216 0.87 ADORA1 (0.64) ADORA1ADORA2BADORA2AADORA3
SCHEMBL381576 0.84 ADORA1 (0.63) ADORA1ADORA2BADORA2AADORA3SLC6A3
SCHEMBL245416 0.83 ADORA1 (0.86) ADORA1ADORA2BADORA2AADORA3
SCHEMBL245503 0.83 ADORA1 (0.72) ADORA1ADORA2B
SCHEMBL244063 0.83 ADORA1 (0.77) ADORA1ADORA2BADORA2A
SCHEMBL12910806 0.82 ADORA1 (0.62) ADORA1ADORA2BADORA2AADORA3SLC6A3
SCHEMBL10148609 0.81 ADORA1 (0.61) ADORA1ADORA2BADORA2ASLC6A3
SCHEMBL8034134 0.80 ADORA1 (0.63) ADORA1ADORA2BADORA2AADORA3SLC6A3
SCHEMBL1421671 0.80 ADORA1 (0.61) ADORA1ADORA2BADORA2AADORA3

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
EP-2588454-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-05-08 — — EP disclosed
WO-2012000945-A1 SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-05 — — WO disclosed