SCHEMBL24944606

SCHEMBL24944606

Cc1nn(C2COC2)cc1Nc1nc(C2CC2)c(-c2cncc3c2ncn3C)nc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.38
▸ IGF1R P08069 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ IRAK4 Q9NWZ3 2/20 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
SCHEMBL30206291 1.00 LRRK2 (0.38) LRRK2IGF1RCDK2KCNH2SYK
SCHEMBL24944966 0.93 LRRK2 (0.46) LRRK2IGF1RCDK2KCNH2IRAK4
SCHEMBL30205514 0.93 LRRK2 (0.46) LRRK2IGF1RCDK2KCNH2IRAK4
SCHEMBL30205777 0.88 LRRK2 (0.36) LRRK2SYKIRAK4
SCHEMBL24944797 0.88 LRRK2 (0.36) LRRK2SYKIRAK4
SCHEMBL24944605 0.86 LRRK2 (0.37) LRRK2IGF1RCDK2KCNH2SYK
SCHEMBL30206008 0.86 LRRK2 (0.37) LRRK2IGF1RCDK2KCNH2SYK
SCHEMBL30206224 0.85 LRRK2 (0.45) LRRK2IGF1RCDK2KCNH2IRAK4
SCHEMBL29173317 0.84 LRRK2 (0.38) LRRK2SYK
SCHEMBL24944216 0.83 LRRK2 (0.38) LRRK2SYK

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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