SCHEMBL4763167

SCHEMBL4763167

O=c1c2[nH]c(-c3cnn(Cc4ccccc4C(F)(F)F)c3)cc2n(Cc2ccc(C(F)(F)F)cc2)c(=O)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 20/20 0.55
ADORA1 P30542 14/20 0.55
ADORA2A P29274 12/20 0.55
ADORA3 P0DMS8 8/20 0.47
PLK4 O00444 1/20 0.43
CDK2 P24941 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
CSNK1G3 Q9Y6M4 1/20 0.43

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
SCHEMBL4769556 0.93 ADORA2B (0.55) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4771316 0.92 ADORA2B (0.51) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL4766155 0.90 ADORA2B (0.55) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4769007 0.88 ADORA2B (0.57) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4918211 0.88 ADORA2B (0.53) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL4769117 0.87 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4769231 0.86 ADORA2B (0.51) ADORA2BADORA1ADORA2AADORA3
SCHEMBL4763136 0.86 ADORA2B (0.63) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL4762600 0.85 ADORA2B (0.60) ADORA2BADORA1ADORA2AADORA3PLK4
SCHEMBL4769104 0.84 ADORA2B (0.49) ADORA2BADORA1ADORA2AADORA3

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-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed