SCHEMBL13344969

SCHEMBL13344969

CC(O)c1ccc(N2CCN(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.81
ADORA1 P30542 1/20 0.72

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
SCHEMBL13345193 0.92 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL13345190 0.92 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL12969859 0.89 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL13345171 0.89 ADORA2A (0.79) ADORA2AADORA1
SCHEMBL12404398 0.88 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL13345185 0.88 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL8281346 0.88 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL21588928 0.87 ADORA2A (0.84) ADORA2AADORA1
SCHEMBL21832971 0.87 ADORA2A (0.83) ADORA2AADORA1
SCHEMBL8243358 0.87 ADORA2A (0.85) ADORA2AADORA1

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-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 US disclosed