SCHEMBL29173384

SCHEMBL29173384

COC(=O)c1nc(Cl)c(Nc2ccccn2)nc1N

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 11/20 0.58
▸ PLAU P00749 3/20 0.46
▸ CDK5 Q00535 3/20 0.44
▸ CDK5R1 Q15078 3/20 0.44
▸ HTT P42858 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ ASIC3 Q9UHC3 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL29173421 0.86 GRM5 (0.47) GRM5CDK5CDK5R1NPC1RAB9A
SCHEMBL30206317 0.86 GRM5 (0.47) GRM5CDK5CDK5R1NPC1RAB9A
SCHEMBL29988155 0.77 GRM5 (0.48) GRM5PLAUSMN1; SMN2
SCHEMBL22552121 0.77 GRM5 (0.48) GRM5PLAUSMN1; SMN2
SCHEMBL4899989 0.75 KDM4E (0.44) GRM5CDK5CDK5R1NPC1RAB9A
SCHEMBL3860010 0.74 GRM5 (0.72) GRM5PLAUNPC1RAB9ASMN1; SMN2
SCHEMBL8071643 0.73 PLAU (0.46) GRM5PLAUHTTASIC3SMN1; SMN2
SCHEMBL30205978 0.73 PLAU (0.46) GRM5PLAUHTTASIC3SMN1; SMN2
SCHEMBL12389585 0.73 PLAU (0.46) GRM5PLAUHTTASIC3SMN1; SMN2
SCHEMBL3868810 0.73 GRM5 (0.73) GRM5NPC1RAB9ASMN1; SMN2

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-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 — — EP disclosed
EP-4373817-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER Astrazeneca AB (SE) 2024-05-29 — — EP disclosed
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 — — CN disclosed
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 — — WO disclosed
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