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) —
SCHEMBL27932477 0.83 PIK3CA (0.34) PIK3CA
SCHEMBL27932436 0.83 ADORA2A (0.34) PIK3CAMTOR
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
Send feedback