SCHEMBL22750648

SCHEMBL22750648

CCCNc1nc(-c2c[nH]nn2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.69
▸ ADORA1 P30542 15/20 0.69
▸ ADORA2B P29275 8/20 0.69
▸ ADORA2A P29274 9/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ TMIGD3 P0DMS9 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ SLC6A2 P23975 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ MAPK1 P28482 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ GMNN O75496 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL22757494 0.89 ADORA3 (0.58) ADORA3ADORA1ADORA2BADORA2AMAPK1
SCHEMBL22750530 0.89 ADORA3 (0.58) ADORA3ADORA1ADORA2BADORA2AMAPK1
SCHEMBL22750534 0.89 ADORA3 (0.57) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22750602 0.88 ADORA3 (0.55) ADORA3ADORA1ADORA2BADORA2AMAPK1
SCHEMBL22750593 0.86 ADORA3 (0.61) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22757434 0.86 ADORA3 (0.61) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22750581 0.86 ADORA3 (0.69) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757424 0.86 ADORA3 (0.53) ADORA3ADORA1ADORA2BADORA2AADRA2A
SCHEMBL22750642 0.85 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A
SCHEMBL22757514 0.85 ADORA3 (0.70) ADORA3ADORA1ADORA2BADORA2A

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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