SCHEMBL25566680

SCHEMBL25566680

C=C[C@]1(C(=O)NC)C[C@@H](n2cnc3c(NC)nc(N)nc32)[C@@H](O)C1O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 18/20 0.62
▸ ADORA1 P30542 7/20 0.62
▸ ADORA2B P29275 4/20 0.52
▸ TMIGD3 P0DMS9 1/20 0.44
▸ HSP90B1 P14625 1/20 0.43
▸ ADORA2A P29274 2/20 0.43

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
SCHEMBL25566698 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2BTMIGD3ADORA2A
SCHEMBL3727163 0.77 ADORA3 (1.00) ADORA3ADORA1TMIGD3HSP90B1
SCHEMBL25566692 0.76 ADORA3 (0.68) ADORA3ADORA1ADORA2BTMIGD3ADORA2A
SCHEMBL25566746 0.75 ADORA3 (0.68) ADORA3ADORA1ADORA2BTMIGD3ADORA2A
SCHEMBL19503864 0.73 ADORA3 (0.69) ADORA3ADORA1TMIGD3HSP90B1ADORA2A
SCHEMBL22359924 0.71 ADORA3 (0.71) ADORA3ADORA1TMIGD3
SCHEMBL25565810 0.70 ADORA3 (0.62) ADORA3ADORA1TMIGD3HSP90B1ADORA2A
SCHEMBL10677210 0.70 AHCY (0.73) ADORA3ADORA1ADORA2B
SCHEMBL10677199 0.70 AHCY (0.73) ADORA3ADORA1ADORA2B
SCHEMBL21939669 0.69 ADORA3 (0.71) 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
WO-2023091791-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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