SCHEMBL22757470

SCHEMBL22757470

C#Cc1nc(NCC(F)F)c2ncn(C3CCC(C(=O)NC)O3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 16/20 0.41
▸ ADORA3 P0DMS8 15/20 0.41
▸ ADORA2A P29274 12/20 0.41
▸ ADORA2B P29275 8/20 0.41
▸ CTSL P07711 1/20 0.40
▸ ADRA2A P08913 1/20 0.39
▸ TMIGD3 P0DMS9 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL22757471 0.80 ADORA3 (0.41) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL22750600 0.78 ADORA3 (0.48) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL22757421 0.70 ADORA3 (0.55) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL22757465 0.70 ADORA3 (0.39) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL22757323 0.69 ADORA1 (0.47) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL22757354 0.68 ADORA1 (0.48) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL22757464 0.68 ADORA3 (0.41) ADORA1ADORA3ADORA2A
SCHEMBL22757500 0.67 ADORA3 (0.55) ADORA1ADORA3ADORA2AADORA2BTMIGD3
SCHEMBL22750499 0.67 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BADRA2A
SCHEMBL14468261 0.66 ADORA2A (0.56) ADORA1ADORA3ADORA2AADORA2B

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
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