SCHEMBL24672831

SCHEMBL24672831

COCC(CO)(OC[C@H]1O[C@H](Cc2ccc3c(NC4CCCC4)nc(Cl)nn23)[C@H](O)[C@@H]1O)P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NT5E P21589 18/20 0.61
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL29613851 0.88 NT5E (0.61) NT5EADORA3ADORA2AADORA1
SCHEMBL22899487 0.88 NT5E (0.61) NT5EADORA3ADORA2AADORA1
SCHEMBL22899499 0.88 NT5E (0.61) NT5EADORA3ADORA2AADORA1
SCHEMBL24672832 0.86 NT5E (0.48) NT5E
SCHEMBL22899620 0.84 NT5E (0.56) NT5EADORA3ADORA2AADORA1
SCHEMBL24672836 0.83 NT5E (0.45) NT5E
SCHEMBL24672812 0.82 NT5E (0.57) NT5E
SCHEMBL27206622 0.82 NT5E (0.57) NT5E
SCHEMBL24672736 0.82 NT5E (0.57) NT5E
SCHEMBL22899596 0.82 NT5E (0.58) NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4353732-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-04-17 EP disclosed
CN-117642411-A Small molecule CD73 antagonists and uses thereof 西藏海思科制药有限公司 2024-03-01 CN disclosed
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 WO disclosed
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 WO disclosed