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SCHEMBL293887

SCHEMBL293887

CCCN(C(=O)C(F)(F)F)C1C[C@@H](n2cnc3c(N[C@H](CO)Cc4c[nH]cn4)nc(N4CC[C@@H](N(C)C)C4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.32
▸ ADORA3 P0DMS8 2/20 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
SCHEMBL1833704 1.00 ADORA2A (0.32) ADORA2AADORA3
SCHEMBL243067 0.90 ADORA2A (0.38) ADORA2AADORA3
SCHEMBL241768 0.89 ADORA2A (0.42) ADORA2AADORA3
SCHEMBL242741 0.89 ADORA2A (0.42) ADORA2AADORA3
SCHEMBL244024 0.89 ADORA2A (0.34) ADORA2AADORA3
SCHEMBL242737 0.89 ADORA2A (0.34) ADORA2AADORA3
SCHEMBL291810 0.89 ADORA2A (0.34) ADORA2AADORA3
SCHEMBL294575 0.88 ADORA2A (0.36) ADORA2AADORA3
SCHEMBL242525 0.88 HRH4 (0.31) ADORA2AADORA3
SCHEMBL291996 0.87 SNCA (0.34) ADORA2AADORA3

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-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 — — EP disclosed