SCHEMBL25566632

SCHEMBL25566632

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.53
▸ HSP90B1 P14625 3/20 0.52
▸ ADORA1 P30542 8/20 0.51
▸ TMIGD3 P0DMS9 3/20 0.50
▸ ADORA2A P29274 1/20 0.46
▸ P2RY1 P47900 1/20 0.44
▸ AHCY P23526 1/20 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
SCHEMBL25566672 0.89 AHCY (0.56) ADORA3HSP90B1ADORA1ADORA2AAHCY
SCHEMBL25566627 0.86 P2RY1 (0.51) ADORA3HSP90B1ADORA1ADORA2AP2RY1
SCHEMBL25566681 0.84 ADORA3 (0.71) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL19503864 0.78 ADORA3 (0.69) ADORA3HSP90B1ADORA1TMIGD3ADORA2A
SCHEMBL21939656 0.77 ADORA3 (0.61) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL21940221 0.77 ADORA3 (0.75) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL17243941 0.77 ADORA3 (0.60) ADORA3HSP90B1ADORA1TMIGD3ADORA2A
SCHEMBL21939669 0.74 ADORA3 (0.71) ADORA3
SCHEMBL25566752 0.73 ADORA1 (0.47) ADORA3HSP90B1ADORA1TMIGD3ADORA2A
SCHEMBL25566673 0.72 ADORA3 (0.47) ADORA3HSP90B1ADORA1TMIGD3ADORA2A

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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