SCHEMBL29173569

SCHEMBL29173569

CNc1nc(Nc2cc(C)c(N3CCOCC3)cc2F)c(C(=O)OC)nc1-c1cncc2c1ncn2C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 0.37
▸ ZAP70 P43403 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ BRAF P15056 4/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ DGAT1 O75907 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
SCHEMBL30206248 1.00 LRRK2 (0.37) LRRK2ZAP70EGFRIRAK4BRAF
SCHEMBL24943794 0.92 RET (0.38) LRRK2IRAK4MAPK9MAPK10
SCHEMBL30205976 0.89 LRRK2 (0.35) LRRK2ZAP70EGFR
SCHEMBL29173615 0.89 LRRK2 (0.35) LRRK2ZAP70EGFR
SCHEMBL29173329 0.89 SYK (0.41) EGFRIRAK4MAPK9MAPK10
SCHEMBL29173428 0.89 LRRK2 (0.36) LRRK2ZAP70EGFRIRAK4MAPK9
SCHEMBL30206019 0.89 SYK (0.41) EGFRIRAK4MAPK9MAPK10
SCHEMBL30206349 0.89 LRRK2 (0.36) LRRK2ZAP70EGFRIRAK4MAPK9
SCHEMBL29173445 0.88 ZAP70 (0.43) LRRK2ZAP70EGFRIRAK4MAPK9
SCHEMBL29173545 0.87 ZAP70 (0.36) LRRK2ZAP70EGFRIRAK4MAPK9

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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