SCHEMBL22359832

SCHEMBL22359832

CNC(=O)C12CC1[C@@H](n1cnc3c(NC)nc(C#Cc4cnccn4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 1.00
▸ TMIGD3 P0DMS9 1/20 0.85

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
SCHEMBL30255542 1.00 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL16774169 1.00 ADORA3 (1.00) ADORA3TMIGD3
SCHEMBL18352466 0.92 ADORA3 (0.86) ADORA3TMIGD3
SCHEMBL16774293 0.92 ADORA3 (0.85) ADORA3TMIGD3
SCHEMBL30255447 0.90 ADORA3 (1.00) ADORA3
SCHEMBL20122173 0.90 ADORA3 (1.00) ADORA3
SCHEMBL16774178 0.90 ADORA3 (1.00) ADORA3
SCHEMBL16361553 0.89 ADORA3 (1.00) ADORA3
SCHEMBL10323352 0.89 ADORA3 (1.00) ADORA3
SCHEMBL30255383 0.88 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 — — EP disclosed
WO-2020168274-A1 TREATMENT OF CHRONIC HEADACHES SAINT LOUIS UNIVERSITY (US) 2020-08-20 — — WO disclosed
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