SCHEMBL28805232

SCHEMBL28805232

NNC(=O)c1occc1-c1nc(N)nc2c1n(C1CC1)c(=O)n2CCO

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.35
MTOR P42345 7/20 0.32
AKT1 P31749 3/20 0.32
PIK3CD O00329 1/20 0.32
CSNK2A2 P19784 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
EEF2K O00418 1/20 0.32

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
SCHEMBL28806931 0.87 PDE5A (0.36) PIK3CA
SCHEMBL28806935 0.86 ADORA2A (0.43)
SCHEMBL27932436 0.83 ADORA2A (0.34) PIK3CAMTOR
SCHEMBL27932477 0.83 PIK3CA (0.34) PIK3CA
SCHEMBL27914295 0.83 ADORA2A (0.35)
SCHEMBL876961 0.74 EEF2K (0.34) PIK3CAMTORAKT1EEF2K
SCHEMBL872452 0.73 ADA (0.42) PIK3CAMTOR
SCHEMBL874071 0.72 EEF2K (0.36) PIK3CAMTORAKT1EEF2K
SCHEMBL27932435 0.69 ADORA2A (0.42)
SCHEMBL27932391 0.68 ADORA2A (0.40) MTOR

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
CN-103261202-A Fused tricyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS LTD 2013-08-21 CN disclosed