SCHEMBL25566675

SCHEMBL25566675

CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(N=[N+]=[N-])nc31)C(O)C2O

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 11/20 0.82
▸ TMIGD3 P0DMS9 6/20 0.82
▸ ADORA1 P30542 4/20 0.77
▸ HSP90B1 P14625 3/20 0.71
▸ ADORA2A P29274 3/20 0.69
▸ HTR2C P28335 1/20 0.56
▸ HTR2B P41595 1/20 0.56

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
SCHEMBL25566679 0.90 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL16774268 0.90 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL16774388 0.90 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2A
SCHEMBL16774384 0.87 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2AHTR2B
SCHEMBL25566683 0.87 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2AHTR2B
SCHEMBL20122079 0.86 ADORA3 (0.77) ADORA3TMIGD3ADORA1HSP90B1ADORA2A
SCHEMBL16774389 0.86 ADORA3 (1.00) ADORA3TMIGD3ADORA1ADORA2AHTR2B
SCHEMBL19799159 0.84 HSP90B1 (0.80) ADORA3TMIGD3ADORA1HSP90B1ADORA2A
SCHEMBL19459913 0.84 HSP90B1 (0.80) ADORA3TMIGD3ADORA1HSP90B1ADORA2A
SCHEMBL22933142 0.83 HSP90B1 (0.79) ADORA3TMIGD3ADORA1HSP90B1ADORA2A

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-2023091791-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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