Fluoride

Fluoride

SCHEMBL30358487

CCn1c(=O)c2c(ncn2C)n(CC)c1=O.F

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.85
PDE4A P27815 4/20 0.85
PDE4B Q07343 4/20 0.85
PDE4C Q08493 4/20 0.85
PDE4D Q08499 4/20 0.85
ADORA2B P29275 8/20 0.73
BLM P54132 2/20 0.73
CYP1A2 P05177 1/20 0.73
CYP3A4 P08684 1/20 0.73
PMP22 Q01453 1/20 0.73
HSD17B10 Q99714 1/20 0.73
PIK3CD O00329 1/20 0.53
POLB P06746 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CNR1 P21554 1/20 0.53
ACHE P22303 1/20 0.53
ADORA1 P30542 1/20 0.53
NTSR1 P30989 1/20 0.53
MC3R P41968 1/20 0.53
NOTUM Q6P988 1/20 0.53

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
SCHEMBL4651994 0.98 ADORA2A (0.88) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL21381243 0.92 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL516446 0.87 ADORA2A (0.74) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL16697212 0.87 ADORA2A (0.79) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL30120870 0.85 ADORA2A (0.68) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL316911 0.85 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11460824 0.82 PDE4A (0.64) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL11460974 0.82 PDE4A (0.67) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL516023 0.81 PDE4A (0.68) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL18990403 0.81 PDE4A (0.57) ADORA2APDE4APDE4BPDE4CPDE4D

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
CN-115884973-A Purine compounds for the treatment of diseases 奇迹生物技术公司 2023-03-31 CN disclosed