SCHEMBL29173419

SCHEMBL29173419

CNc1nc(Br)c(C(=O)OC)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.44
▸ PGK1 P00558 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.31
▸ RCE1 Q9Y256 1/20 0.31

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
SCHEMBL30205978 0.81 PLAU (0.46) NPSR1PGK1KDM4EPKMALDH1A1
SCHEMBL12389585 0.81 PLAU (0.46) NPSR1PGK1KDM4EPKMALDH1A1
SCHEMBL11727826 0.80 NPSR1 (0.44) NPSR1PGK1KDM4EPKMALDH1A1
SCHEMBL30206285 0.80 NPSR1 (0.44) NPSR1PGK1KDM4EPKMALDH1A1
SCHEMBL29173359 0.80 NPSR1 (0.44) NPSR1PGK1KDM4EPKMALDH1A1
SCHEMBL9091123 0.73 NPSR1 (0.71) NPSR1KDM4EPKMALDH1A1L3MBTL1
SCHEMBL21335829 0.73 NPSR1 (0.44) NPSR1KDM4EPKMALDH1A1L3MBTL1
SCHEMBL29206055 0.72 NPSR1 (0.47) NPSR1KDM4EPKMALDH1A1L3MBTL1
SCHEMBL25174331 0.71 NPSR1 (0.54) NPSR1KDM4EPKMALDH1A1L3MBTL1
SCHEMBL30792993 0.71 NPSR1 (0.54) NPSR1KDM4EPKMALDH1A1L3MBTL1

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-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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