SCHEMBL29239441

SCHEMBL29239441

COC(=O)c1nc(NC(=O)C2CC2)ccc1C1=COCCO1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.46
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.41
ADORA2A P29274 9/20 0.40
ADORA1 P30542 8/20 0.40
NPC1 O15118 1/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.37
MAPK10 P53779 1/20 0.37
ABL1 P00519 1/20 0.37

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
SCHEMBL23089798 0.75 ADORA2B (0.53) ADORA2BHPGDADORA2AADORA1NPC1
SCHEMBL23089162 0.74 ADORA2B (0.48) ADORA2BHPGDADORA2AADORA1NPC1
SCHEMBL29736596 0.74 ADORA2B (0.48) ADORA2BHPGDADORA2AADORA1NPC1
SCHEMBL23089463 0.73 HPGD (0.51) ADORA2BHTTHPGDADORA2AADORA1
SCHEMBL29736825 0.73 ADORA2B (0.47) ADORA2BHPGDADORA2AADORA1NPC1
SCHEMBL23089787 0.73 ADORA2B (0.47) ADORA2BHPGDADORA2AADORA1NPC1
SCHEMBL30865569 0.72 L3MBTL1 (0.46) HTTNPC1RAB9AALDH1A1ALOX12
SCHEMBL23104750 0.72 ADORA2B (0.46) ADORA2BHPGDADORA2AADORA1NPC1
SCHEMBL23104332 0.70 HPGD (0.46) ADORA2BHTTHPGDNPC1HSP90AA1
SCHEMBL23089495 0.70 HPGD (0.48) ADORA2BHPGDADORA2AADORA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380565-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2024-06-12 EP disclosed
CN-117915912-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-04-19 CN disclosed
WO-2023015199-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-02-09 WO disclosed