SCHEMBL31577350

SCHEMBL31577350

CNc1nc(Nc2cc(F)c(N3CCOCC3)c(F)c2F)c(C(=O)OC)nc1-c1nc2ccncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 14/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ ZAP70 P43403 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
SCHEMBL31577284 0.84 LRRK2 (0.41) AOC3LRRK2
SCHEMBL29173530 0.80 LRRK2 (0.37) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL30206129 0.80 LRRK2 (0.37) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL31577363 0.77 AOC3 (0.37) AOC3KCNH2
SCHEMBL31577281 0.73 RPS6KA5 (0.41) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL24944968 0.72 SYK (0.35) LRRK2ZAP70
SCHEMBL31577393 0.71 TP53 (0.31) AOC3
SCHEMBL29173596 0.70 SYK (0.39) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL30206239 0.70 SYK (0.39) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL31577303 0.70 JAK2 (0.32) MAPTSMN1; SMN2

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
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 — — EP disclosed
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