SCHEMBL31201331

SCHEMBL31201331

OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccccc4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.88
ADORA3 P0DMS8 6/20 0.88
ADORA2A P29274 5/20 0.88
PGK1 P00558 3/20 0.81
PGK2 P07205 3/20 0.81
NFKB1 P19838 1/20 0.75
THPO P40225 1/20 0.75
TSHR P16473 1/20 0.75
NT5E P21589 1/20 0.73
ADORA2B P29275 1/20 0.70

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
SCHEMBL5062568 0.95 ADORA1 (0.80) ADORA1ADORA3ADORA2APGK1PGK2
SCHEMBL7080746 0.91 ADORA3 (0.80) ADORA1ADORA3ADORA2ANT5EADORA2B
SCHEMBL5396253 0.91 ADORA3 (0.80) ADORA1ADORA3ADORA2ANT5EADORA2B
SCHEMBL7080749 0.91 ADORA3 (0.80) ADORA1ADORA3ADORA2ANT5EADORA2B
SCHEMBL4136507 0.91 ADORA3 (0.80) ADORA1ADORA3ADORA2ANT5EADORA2B
SCHEMBL30581189 0.91 ADORA3 (0.80) ADORA1ADORA3ADORA2ANT5EADORA2B
SCHEMBL8908726 0.89 ADORA1 (0.76) ADORA1ADORA3ADORA2APGK1PGK2
SCHEMBL8908713 0.89 ADORA1 (0.76) ADORA1ADORA3ADORA2APGK1PGK2
SCHEMBL8908841 0.87 ADORA1 (0.74) ADORA1ADORA3ADORA2APGK1PGK2
SCHEMBL7049149 0.87 PGK1 (0.79) ADORA1ADORA3ADORA2APGK1PGK2

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
EP-4727944-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2026-04-22 EP disclosed
EP-4717312-A1 PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2026-04-01 EP disclosed
WO-2024256496-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT PERHA PHARMACEUTICALS (FR) 2024-12-19 WO disclosed
EP-4477653-A1 [1,2,4]-TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES USEFUL AS A MEDICAMENT Perha Pharmaceuticals (FR) 2024-12-18 EP disclosed