SCHEMBL25944182

SCHEMBL25944182

Cc1nn(C)c(CBr)c1C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL2612158 0.80 GAA (0.40) ADORA2AADORA2BKDM4E
SCHEMBL24192195 0.79 SMN1; SMN2 (0.38) ADORA2AADORA2BKDM4E
SCHEMBL26926753 0.77 ADORA2A (0.30) ADORA2AADORA2B
SCHEMBL972904 0.76 GAA (0.35) ADORA2AADORA2BKDM4E
SCHEMBL27880863 0.76 ADORA2A (0.32) ADORA2AADORA2BKDM4E
SCHEMBL972069 0.76 KDM4E (0.34) ADORA2AADORA2BKDM4E
SCHEMBL14496271 0.76 GAA (0.33) ADORA2AADORA2BKDM4E
Ammonia Solution, Strong SCHEMBL3404011 0.74 KDM4E (0.33) ADORA2AADORA2BKDM4E
SCHEMBL13438130 0.73 TKT (0.43) ADORA2AADORA2BKDM4E
SCHEMBL22253434 0.71 KDM4E (0.30) KDM4E

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-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed