SCHEMBL30834262

SCHEMBL30834262

COc1ccc(Cn2cnc3c(Cl)cc(I)nc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
YTHDC1 Q96MU7 3/20 0.48
HPGD P15428 1/20 0.47
CTSL P07711 2/20 0.47
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
MET P08581 1/20 0.45
PDE8A O60658 1/20 0.45
CNR2 P34972 2/20 0.45
NR3C1 P04150 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NPY1R P25929 1/20 0.43
PDGFRA P16234 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL16774386 1.00 ADORA2A (0.49) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL16774098 0.85 MEN1 (0.55) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL30834223 0.83 NR3C1 (0.48) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL27201578 0.83 NR3C1 (0.48) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL29366555 0.82 HSP90AA1 (0.54) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL5471657 0.82 HSP90AA1 (0.54) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL30834254 0.81 HPGD (0.47) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL30834253 0.81 HPGD (0.47) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL27201510 0.81 HPGD (0.47) ADORA2AMEN1KMT2AL3MBTL1YTHDC1
SCHEMBL20774516 0.79 HPGD (0.54) ADORA2AMEN1KMT2AL3MBTL1YTHDC1

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-2024073502-A1 HETEROCYCLIC COMPOUNDS AS E3 LIGASE INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-04-04 WO disclosed