SCHEMBL25566683

SCHEMBL25566683

CCNc1nc(N=[N+]=[N-])nc2c1ncn2[C@H]1C(O)C(O)[C@]2(C(=O)NC)C[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 1.00
▸ ADORA1 P30542 9/20 1.00
▸ TMIGD3 P0DMS9 6/20 1.00
▸ ADORA2A P29274 4/20 0.78
▸ 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
SCHEMBL16774384 1.00 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2AHTR2B
SCHEMBL25566679 0.91 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL16774268 0.91 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL16774388 0.91 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL20122073 0.88 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL16774179 0.88 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL16774389 0.87 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2AHTR2B
SCHEMBL25566675 0.87 ADORA3 (0.82) ADORA3ADORA1TMIGD3ADORA2AHTR2B
SCHEMBL20122157 0.86 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2AHTR2B
SCHEMBL16774290 0.86 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2AHTR2B

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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