SCHEMBL5332249

SCHEMBL5332249

CCn1c(=O)n(-c2cccc(OC)c2)c2nc(NC(F)Cc3ccccc3)ncc21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.61
ADORA1 P30542 19/20 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
SCHEMBL4525965 0.89 ADORA2A (0.78) ADORA2AADORA1
SCHEMBL4532246 0.89 ADORA2A (0.64) ADORA2AADORA1
SCHEMBL4524133 0.89 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL4507905 0.81 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL13966174 0.78 ADORA2A (0.83) ADORA2AADORA1
SCHEMBL5332245 0.77 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL4520036 0.77 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL4521051 0.76 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL4525346 0.76 ADORA2A (0.86) ADORA2AADORA1
SCHEMBL4526348 0.76 ADORA2A (0.86) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007035873-A1 PURINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-03-29 WO disclosed