SCHEMBL30995255

SCHEMBL30995255

O=Cc1nc(Br)cnc1Br

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
MAPK1 P28482 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
SCHEMBL12791494 1.00 TRIM24 (0.33) TRIM24TRIM33MAPK1
SCHEMBL13606495 0.80 ATR (0.37) MAPK1
SCHEMBL29952131 0.80 ATR (0.37) MAPK1
SCHEMBL469139 0.78
SCHEMBL29954519 0.76 ATR (0.33) MAPK1
SCHEMBL22090180 0.74 KCNJ1 (0.46)
SCHEMBL23213755 0.74 CCR4 (0.39)
SCHEMBL21274185 0.70 CCR4 (0.42)
SCHEMBL29862850 0.70 CCR4 (0.38)
SCHEMBL23250599 0.70 CCR4 (0.38)

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
CN-112654625-B Heterocyclic and heteroaryl compounds for the treatment of huntington's disease PTC医疗公司 2024-08-06 CN disclosed