SCHEMBL10100048

SCHEMBL10100048

CCCn1c(=O)c2c(nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)n2C(=O)OCc2ccccc2)n(CC)c1=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.61
ADORA2A P29274 17/20 0.61
ADORA1 P30542 16/20 0.61
ADORA3 P0DMS8 12/20 0.61
PLK4 O00444 1/20 0.61
CDK2 P24941 1/20 0.61
IRAK1 P51617 1/20 0.61
RPS6KA3 P51812 1/20 0.61
PLK3 Q9H4B4 1/20 0.61
CSNK1G3 Q9Y6M4 1/20 0.61

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
SCHEMBL29402396 0.96 ADORA2B (0.64) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343066 0.96 ADORA2B (0.64) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343039 0.93 ADORA2B (0.61) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343065 0.92 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL29402274 0.92 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343062 0.91 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL29402658 0.91 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343067 0.91 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343014 0.91 ADORA2B (0.56) ADORA2BADORA2AADORA1ADORA3PLK4
SCHEMBL21343011 0.90 ADORA2B (0.57) ADORA2BADORA2AADORA1ADORA3PLK4

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
US-8143249-B2 Prodrugs of A2B adenosine receptor antagonists GILEAD SCIENCES, INC. (US) 2012-03-27 US disclosed