SCHEMBL8927502

SCHEMBL8927502

Nc1nc(=O)n(C(=O)C(F)(F)C[C@H](O)CO)cc1Br

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL8927492 0.86 ALB (0.35)
SCHEMBL8927153 0.85
SCHEMBL9178884 0.85
SCHEMBL8743038 0.81
SCHEMBL8926331 0.78 FGFR1 (0.36)
SCHEMBL8927516 0.68 AHCY (0.53) ADORA2AADORA2BADORA1
SCHEMBL27293671 0.68 AHCY (0.53) ADORA2AADORA2BADORA1
SCHEMBL8926287 0.67 BLM (0.48)
SCHEMBL8743024 0.67 ALB (0.35)
SCHEMBL8743028 0.67 ALB (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644043-A ANTITUMOR, ANTICANCER, TREATMENT OF HERPES ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5574021-A LEUKEMIA ELI LILLY AND COMPANY (US) 1996-11-12 US disclosed
EP-0329348-B1 2',3'-Dideoxy-2',2'-difluoronucleosides LILLY CO ELI (US) 1995-07-12 EP disclosed
EP-0329348-A2 2',3'-Dideoxy-2',2'-difluoronucleosides ELI LILLY AND COMPANY (US) 1989-08-23 EP disclosed