SCHEMBL25566681

SCHEMBL25566681

CCNc1nc(I)nc2c1ncn2[C@@H]1C[C@](C)(C(=O)NC)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 16/20 0.71
▸ ADORA1 P30542 12/20 0.71
▸ TMIGD3 P0DMS9 4/20 0.71
▸ ADORA2A P29274 3/20 0.53
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45

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
SCHEMBL25566632 0.84 ADORA3 (0.53) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL21940221 0.84 ADORA3 (0.75) ADORA3ADORA1TMIGD3ADORA2AHTR2B
SCHEMBL16774258 0.83 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL16774370 0.83 ADORA3 (1.00) ADORA3ADORA1TMIGD3ADORA2A
SCHEMBL20122135 0.79 ADORA3 (0.76) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL19503864 0.79 ADORA3 (0.69) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL19503865 0.78 ADORA3 (0.76) ADORA3ADORA1ADORA2AHTR2CHTR2B
SCHEMBL17243941 0.78 ADORA3 (0.60) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL19807422 0.76 ADORA3 (0.75) ADORA3ADORA1TMIGD3ADORA2AHTR2C
SCHEMBL25566672 0.75 AHCY (0.56) ADORA3ADORA1ADORA2A

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
Send feedback