SCHEMBL22757354

SCHEMBL22757354

CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(F)F)nc(C#C[Si](C)(C)C)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 19/20 0.48
▸ ADORA3 P0DMS8 19/20 0.48
▸ ADORA2A P29274 17/20 0.48
▸ ADORA2B P29275 3/20 0.48
▸ ADRA2A P08913 1/20 0.45
▸ TMIGD3 P0DMS9 1/20 0.45
▸ ADRA2B P18089 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A4 P31645 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
SCHEMBL22757323 0.93 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL22750600 0.91 ADORA3 (0.48) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL22750569 0.86 ADORA3 (0.54) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL22757505 0.86 ADORA3 (0.56) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL22750550 0.82 ADORA3 (0.52) ADORA1ADORA3ADORA2AADORA2BTMIGD3
SCHEMBL12935987 0.81 ADORA3 (0.56) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL22750499 0.81 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL22757320 0.81 ADORA3 (0.44) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL22750594 0.80 ADORA1 (0.57) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL22757352 0.79 ADORA3 (0.54) ADORA1ADORA3ADORA2A

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-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 — — WO disclosed
Send feedback