SCHEMBL8423342

SCHEMBL8423342

CCCSc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.64
▸ ADORA1 P30542 7/20 0.64
▸ ADORA2A P29274 6/20 0.64
▸ ADORA2B P29275 4/20 0.64
▸ SLC29A1 Q99808 1/20 0.63
▸ PGK1 P00558 1/20 0.57
▸ PGK2 P07205 1/20 0.57

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
SCHEMBL8423332 1.00 ADORA3 (0.64) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL8426428 0.93 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL8426439 0.93 ADORA3 (0.63) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL8422649 0.92 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL8422643 0.92 ADORA3 (0.66) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL8426311 0.91 ADORA3 (0.60) ADORA3ADORA1SLC29A1PGK1PGK2
SCHEMBL8426308 0.91 ADORA3 (0.60) ADORA3ADORA1SLC29A1PGK1PGK2
SCHEMBL18660509 0.90 ADORA3 (0.69) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL8426477 0.90 P2RY12 (0.60) ADORA3ADORA1ADORA2AADORA2BPGK1
SCHEMBL8780661 0.90 P2RY12 (0.60) ADORA3ADORA1ADORA2AADORA2BPGK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955447-A ADMINISTERING AS ANTICOAGULANT; TREATING CARDIOVASCULAR DISORDERS ASTRA PHARMACEUTICALS LIMITED (GB) 1999-09-21 — — US disclosed
US-5721219-A ANTICOAGULANTS ASTRA PHARMACEUTICALS LTD. (GB) 1998-02-24 — — US disclosed
EP-0683789-B1 N-ALKYL-2-SUBSTITUTED ATP ANALOGUES ASTRA PHARMA PROD (GB) 1997-11-05 — — EP disclosed
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