SCHEMBL30205978

SCHEMBL30205978

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 15/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PGK1 P00558 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRM5 P41594 1/20 0.38
▸ RCE1 Q9Y256 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SLC9A1 P19634 1/20 0.37

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
SCHEMBL12389585 1.00 PLAU (0.46) PLAUNPSR1PGK1KDM4EPKM
SCHEMBL21335829 0.88 NPSR1 (0.44) PLAUNPSR1KDM4EPKMALDH1A1
SCHEMBL8071643 0.86 PLAU (0.46) PLAUNPSR1KDM4EPKMALDH1A1
SCHEMBL29987712 0.83 NPSR1 (0.54) PLAUNPSR1KDM4EPKMALDH1A1
SCHEMBL507599 0.83 NPSR1 (0.54) PLAUNPSR1KDM4EPKMALDH1A1
SCHEMBL11151830 0.82 GRM5 (0.55) PLAUNPSR1KDM4EPKMALDH1A1
SCHEMBL1136751 0.82 SCNN1A (0.53) PLAUNPSR1KDM4EPKMALDH1A1
SCHEMBL29625000 0.82 SCNN1A (0.53) PLAUNPSR1KDM4EPKMALDH1A1
SCHEMBL11727826 0.81 NPSR1 (0.44) PLAUNPSR1PGK1KDM4EPKM
SCHEMBL29173419 0.81 NPSR1 (0.44) PLAUNPSR1PGK1KDM4EPKM

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 2 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
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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