SCHEMBL24944376

SCHEMBL24944376

COc1nc(Nc2ccc(CN3CCOCC3)c(F)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.35
▸ EGFR P00533 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ MOK Q9UQ07 1/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ LYN P07948 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ PIK3CG P48736 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
SCHEMBL30206173 1.00 LRRK2 (0.35) LRRK2EGFRKCNH2PDCD1CD274
SCHEMBL31195405 0.94 LRRK2 (0.36) LRRK2EGFRKCNH2PDCD1CD274
Formic Acid SCHEMBL30206024 0.91 PIK3CG (0.35) LRRK2EGFRKCNH2PDCD1CD274
SCHEMBL30205495 0.90 LRRK2 (0.36) LRRK2EGFRKCNH2MOKJAK2
SCHEMBL24944784 0.90 LRRK2 (0.36) LRRK2EGFRKCNH2MOKJAK2
SCHEMBL24944993 0.88 LRRK2 (0.40) LRRK2EGFRKCNH2CSF1RJAK2
SCHEMBL29173704 0.84 LRRK2 (0.36) LRRK2EGFRKCNH2PDCD1CD274
SCHEMBL30206132 0.84 LRRK2 (0.36) LRRK2EGFRKCNH2PDCD1CD274
SCHEMBL30206021 0.82 LRRK2 (0.40) LRRK2EGFRKCNH2CSF1RJAK2
SCHEMBL29173398 0.82 LRRK2 (0.40) LRRK2EGFRKCNH2CSF1RJAK2

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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