SCHEMBL25566672

SCHEMBL25566672

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.56
▸ HSP90B1 P14625 4/20 0.53
▸ ADORA3 P0DMS8 7/20 0.48
▸ ADORA1 P30542 4/20 0.48
▸ ADORA2A P29274 3/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ LMNA P02545 1/20 0.45
▸ NT5E P21589 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ CHKA P35790 2/20 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 0.89 ADORA3 (0.53) AHCYHSP90B1ADORA3ADORA1ADORA2A
SCHEMBL25566627 0.87 P2RY1 (0.51) AHCYHSP90B1ADORA3ADORA1ADORA2A
SCHEMBL22933142 0.82 HSP90B1 (0.79) HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL19807386 0.82 HSP90B1 (0.79) HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL19464933 0.82 HSP90B1 (0.79) HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL21939656 0.80 ADORA3 (0.61) ADORA3ADORA1ADORA2A
SCHEMBL25565523 0.80 AHCY (0.61) AHCYHSP90B1ADORA3ADORA1ADORA2A
SCHEMBL19503864 0.78 ADORA3 (0.69) HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL17243941 0.78 ADORA3 (0.60) HSP90B1ADORA3ADORA1ADORA2A
SCHEMBL25566681 0.75 ADORA3 (0.71) 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