SCHEMBL30206331

SCHEMBL30206331

Clc1cc(CN2CC3(COC3)C2)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
FAAH O00519 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 2/20 0.34
MCHR1 Q99705 2/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL545235 0.82 DBH (0.42) SMN1; SMN2POLBSIGMAR1PRMT5WDR77
SCHEMBL12665901 0.81 ALDH1A1 (0.47) POLBHTTHRH3NPC1HPGD
SCHEMBL30630159 0.79 KDM4E (0.55) HTTSIGMAR1FAAHPRMT5WDR77
SCHEMBL30602391 0.79 HTT (0.51) HTTSIGMAR1FAAHHRH3KCNH2
SCHEMBL1141938 0.78 HRH3 (0.61) SMN1; SMN2POLBHTTSIGMAR1HRH3
SCHEMBL1535757 0.74 SMN1; SMN2 (0.69) SMN1; SMN2POLBHTTSIGMAR1HRH3
SCHEMBL545015 0.74 KCNH2 (0.41) HRH3L3MBTL1KCNH2MCHR1TLR8
SCHEMBL20484955 0.74 HIF1A (0.44) SIGMAR1FAAHHRH3MEN1KMT2A
SCHEMBL25699463 0.74 ALDH1A1 (0.44) SMN1; SMN2HTTFAAHHRH3L3MBTL1
SCHEMBL15260063 0.73 CYP2D6 (0.39) HRH3PRMT5WDR77KCNH2MCHR1

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