SCHEMBL24944748

SCHEMBL24944748

CNc1nc(Nc2cnc(N3CCOC[C@@H]3C)c(C)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.41
▸ ATR Q13535 5/20 0.41
▸ CHEK1 O14757 3/20 0.41
▸ ATM Q13315 1/20 0.36
▸ PIK3CA P42336 3/20 0.36
▸ PIK3CD O00329 2/20 0.36
▸ MAPK14 Q16539 3/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ PIK3R1 P27986 1/20 0.33
▸ RICTOR Q6R327 1/20 0.33
▸ RPTOR Q8N122 1/20 0.33
▸ MAPKAP1 Q9BPZ7 1/20 0.33
▸ MLST8 Q9BVC4 1/20 0.33
▸ SYK P43405 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ RET P07949 1/20 0.32

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
SCHEMBL24944438 1.00 MTOR (0.41) MTORATRCHEK1ATMPIK3CA
SCHEMBL30205534 1.00 MTOR (0.41) MTORATRCHEK1ATMPIK3CA
SCHEMBL30205512 1.00 MTOR (0.41) MTORATRCHEK1ATMPIK3CA
SCHEMBL29173469 0.93 MTOR (0.40) MTORATRCHEK1ATMPIK3CA
SCHEMBL29173424 0.93 MTOR (0.40) MTORATRCHEK1ATMPIK3CA
SCHEMBL30206098 0.93 MTOR (0.40) MTORATRCHEK1ATMPIK3CA
SCHEMBL30206009 0.93 MTOR (0.40) MTORATRCHEK1ATMPIK3CA
SCHEMBL24944983 0.89 PI4KB (0.34) MTORATRCHEK1AXLRET
SCHEMBL24944436 0.89 EML4 (0.36) CHEK1PIK3CASYKAXLRET
SCHEMBL30205483 0.89 EML4 (0.36) CHEK1PIK3CASYKAXLRET

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
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 claimed
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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