SCHEMBL30173075

SCHEMBL30173075

CN1CCC[C@H]1c1nc(NC(=O)C2CC2)ccc1-c1ccoc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.40
ADORA2A P29274 9/20 0.40
ADORA1 P30542 7/20 0.40
ABL1 P00519 1/20 0.40
GSK3B P49841 3/20 0.39
GSK3A P49840 1/20 0.39
ADORA3 P0DMS8 3/20 0.39
HPGD P15428 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
HTR1A P08908 2/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
HTR1F P30939 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL29239375 1.00 ADORA2B (0.40) ADORA2BADORA2AADORA1ABL1GSK3B
SCHEMBL29239372 1.00 ADORA2B (0.40) ADORA2BADORA2AADORA1ABL1GSK3B
SCHEMBL29239398 0.78 ADORA2B (0.46) ADORA2BADORA2AADORA1ABL1GSK3B
SCHEMBL24992530 0.78 ADORA2B (0.46) ADORA2BADORA2AADORA1ABL1GSK3B
SCHEMBL30173072 0.78 ADORA2B (0.46) ADORA2BADORA2AADORA1ABL1GSK3B
SCHEMBL29814571 0.76 ADORA2B (0.48) ADORA2BADORA2AADORA1GSK3BGSK3A
SCHEMBL23089063 0.76 ADORA2B (0.48) ADORA2BADORA2AADORA1GSK3BGSK3A
SCHEMBL28876487 0.76 ADORA2B (0.48) ADORA2BADORA2AADORA1GSK3BGSK3A
SCHEMBL23089798 0.74 ADORA2B (0.53) ADORA2BADORA2AADORA1GSK3BGSK3A
SCHEMBL24992531 0.73 HTR1A (0.41) ABL1HPGDHTR1AHTR1DHTR1B

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