SCHEMBL29173530

SCHEMBL29173530

CNc1nc(Nc2cc(F)c(N3CCOCC3)c(F)c2F)c(C(=O)OC)nc1-c1cncc2c1ncn2C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 17/20 0.37
▸ ZAP70 P43403 1/20 0.36
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ RXFP1 Q9HBX9 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
SCHEMBL30206129 1.00 LRRK2 (0.37) LRRK2ZAP70MEN1NPC1MAPT
SCHEMBL24944968 0.92 SYK (0.35) LRRK2ZAP70
SCHEMBL29173596 0.91 SYK (0.39) LRRK2ZAP70MEN1NPC1MAPT
SCHEMBL30206239 0.91 SYK (0.39) LRRK2ZAP70MEN1NPC1MAPT
SCHEMBL29173428 0.88 LRRK2 (0.36) LRRK2ZAP70
SCHEMBL30206349 0.88 LRRK2 (0.36) LRRK2ZAP70
SCHEMBL29173445 0.87 ZAP70 (0.43) LRRK2ZAP70MEN1NPC1MAPT
SCHEMBL29173569 0.86 LRRK2 (0.37) LRRK2ZAP70
SCHEMBL30206248 0.86 LRRK2 (0.37) LRRK2ZAP70
SCHEMBL30206194 0.85 MEN1 (0.34) LRRK2MEN1NPC1MAPTRAB9A

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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