SCHEMBL31577321

SCHEMBL31577321

CNc1nc(Nc2cnc(N3CCOCC3)c(C)c2)c(C(=O)OC)nc1-c1cncc2c1ncn2C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 9/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BTK Q06187 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ PKMYT1 Q99640 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ DHODH Q02127 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31

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
SCHEMBL30205999 1.00 LRRK2 (0.33) LRRK2ADORA2AADORA1ALDH1A1BTK
SCHEMBL24944436 0.92 EML4 (0.36) BTK
SCHEMBL30205483 0.92 EML4 (0.36) BTK
SCHEMBL30206194 0.91 MEN1 (0.34) LRRK2BTKPKMYT1MEN1NPC1
SCHEMBL29173547 0.91 MEN1 (0.34) LRRK2BTKPKMYT1MEN1NPC1
SCHEMBL30206005 0.91 ALDH1A1 (0.41) LRRK2ALDH1A1TRPV1MEN1KMT2A
SCHEMBL29173373 0.91 ALDH1A1 (0.41) LRRK2ALDH1A1TRPV1MEN1KMT2A
SCHEMBL30206137 0.90 TTK (0.34) LRRK2
SCHEMBL29173677 0.90 TTK (0.34) LRRK2
SCHEMBL29173715 0.90 RET (0.33) DHODHBRAF

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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