SCHEMBL29173545

SCHEMBL29173545

CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2F)c(C(=O)OC)nc1-c1cncc2c1ncn2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 1/20 0.36
▸ LRRK2 Q5S007 12/20 0.36
▸ MKNK2 Q9HBH9 2/20 0.35
▸ MAP3K9 P80192 1/20 0.35
▸ MAPK9 P45984 4/20 0.34
▸ MAPK10 P53779 4/20 0.34
▸ ALK Q9UM73 3/20 0.34
▸ MAPK8 P45983 3/20 0.34
▸ EGFR P00533 2/20 0.34
▸ INSR P06213 2/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DCLK1 O15075 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PRKD3 O94806 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
SCHEMBL30206108 1.00 ZAP70 (0.36) ZAP70LRRK2MKNK2MAP3K9MAPK9
SCHEMBL29173428 0.94 LRRK2 (0.36) ZAP70LRRK2MKNK2MAP3K9MAPK9
SCHEMBL30206349 0.94 LRRK2 (0.36) ZAP70LRRK2MKNK2MAP3K9MAPK9
SCHEMBL30205976 0.92 LRRK2 (0.35) ZAP70LRRK2MKNK2MAP3K9EGFR
SCHEMBL30205667 0.92 MAPK9 (0.37) ZAP70LRRK2MKNK2MAP3K9MAPK9
SCHEMBL24944756 0.92 MAPK9 (0.37) ZAP70LRRK2MKNK2MAP3K9MAPK9
SCHEMBL29173615 0.92 LRRK2 (0.35) ZAP70LRRK2MKNK2MAP3K9EGFR
SCHEMBL29173445 0.87 ZAP70 (0.43) ZAP70LRRK2MKNK2MAPK9MAPK10
SCHEMBL29173569 0.87 LRRK2 (0.37) ZAP70LRRK2MAPK9MAPK10EGFR
SCHEMBL30206248 0.87 LRRK2 (0.37) ZAP70LRRK2MAPK9MAPK10EGFR

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 1 patent. 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 disclosed
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