SCHEMBL26277604

SCHEMBL26277604

C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(F)nc32)[C@@H](F)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.57
LMNA P02545 1/20 0.57
HIF1A Q16665 1/20 0.57
AHCY P23526 4/20 0.52
ADORA2A P29274 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
ADORA1 P30542 2/20 0.50
ADORA2B P29275 2/20 0.50
PDE2A O00408 1/20 0.49
ADRA1A P35348 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE3A Q14432 1/20 0.49
CA5A P35218 1/20 0.48
DNMT1 P26358 1/20 0.44
DNMT3B Q9UBC3 1/20 0.44
STING1 Q86WV6 1/20 0.42
CD99 P14209 1/20 0.42

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
SCHEMBL13146083 1.00 NT5E (0.57) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL13146058 0.91 ADORA2A (0.49) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL30689525 0.90 NT5E (0.61) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL749004 0.90 ADORA3 (0.50) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL13146049 0.90 ADORA3 (0.50) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL23054709 0.90 NT5E (0.61) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL749005 0.90 ADORA3 (0.50) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL31307554 0.90 NT5E (0.61) NT5ELMNAHIF1AAHCYADORA2A
SCHEMBL15964781 0.89 ADORA2A (0.49) NT5ELMNAHIF1AADORA2AADORA3
SCHEMBL745409 0.88 ADORA3 (0.64) NT5ELMNAADORA2AADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
WO-2023178133-A1 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed