SCHEMBL20122095

SCHEMBL20122095

CNC(=O)C12CC1[C@H]1C(n3cnc4c(NC)nc(C#Cc5ccco5)nc43)[C@@]1(O)[C@@H]2O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.73
▸ ADORA2A P29274 1/20 0.55

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
SCHEMBL20122119 0.91 ADORA3 (0.61) ADORA3ADORA2A
SCHEMBL24294196 0.89 ADORA3 (0.57) ADORA3
SCHEMBL24294401 0.88 ADORA3 (0.58) ADORA3ADORA2A
SCHEMBL23097548 0.86 ADORA3 (0.71) ADORA3ADORA2A
SCHEMBL24294384 0.85 ADORA3 (0.72) ADORA3ADORA2A
SCHEMBL20122184 0.85 ADORA3 (0.58) ADORA3ADORA2A
SCHEMBL21939553 0.85 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL21939545 0.85 ADORA3 (0.58) ADORA3ADORA2A
SCHEMBL23097531 0.85 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL16774187 0.84 ADORA3 (1.00) ADORA3

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
US-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 — — US disclosed
Send feedback