SCHEMBL28876487

SCHEMBL28876487

[CH2]c1nc(NC(=O)C2CC2)ccc1-c1ccoc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 17/20 0.48
ADORA2A P29274 13/20 0.48
ADORA1 P30542 10/20 0.48
HPGD P15428 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ADORA3 P0DMS8 4/20 0.46
RXFP1 Q9HBX9 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL29814571 0.85 ADORA2B (0.48) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL23089063 0.85 ADORA2B (0.48) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL23089798 0.81 ADORA2B (0.53) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL29736565 0.77 ADORA2B (0.44) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL23089682 0.77 ADORA2B (0.44) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL23089598 0.76 ADORA2B (0.41) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL29239372 0.76 ADORA2B (0.40) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL23089599 0.76 ADORA2B (0.40) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL29239375 0.76 ADORA2B (0.40) ADORA2BADORA2AADORA1HPGDGSK3A
SCHEMBL30173075 0.76 ADORA2B (0.40) ADORA2BADORA2AADORA1HPGDGSK3A

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-114945366-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2022-08-26 CN disclosed