SCHEMBL29173355

SCHEMBL29173355

COC(=O)c1nc(-c2cccc3c2ncn3C)c(OC)nc1Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 2/20 0.40
▸ CSF1R P07333 4/20 0.39
▸ STAT6 P42226 2/20 0.39
▸ BTK Q06187 1/20 0.39
▸ STK10 O94804 1/20 0.39
▸ SLK Q9H2G2 1/20 0.39
▸ JAK2 O60674 3/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ LCK P06239 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ KDR P35968 2/20 0.38
▸ DAPK1 P53355 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL30206236 1.00 PKMYT1 (0.40) PKMYT1CSF1RSTAT6BTKSTK10
SCHEMBL24944375 0.93 EML4 (0.44) PKMYT1CSF1RSTAT6JAK3LCK
SCHEMBL30206126 0.93 EML4 (0.44) PKMYT1CSF1RSTAT6JAK3LCK
SCHEMBL29173604 0.92 PTK2 (0.41) PKMYT1BTKPTK2MAPTGAA
SCHEMBL30206183 0.92 PTK2 (0.41) PKMYT1BTKPTK2MAPTGAA
SCHEMBL30206034 0.91 PKMYT1 (0.40) PKMYT1STAT6BTKSTK10SLK
SCHEMBL29173536 0.91 BTK (0.40) PKMYT1CSF1RSTAT6BTKJAK2
SCHEMBL29173612 0.91 PKMYT1 (0.40) PKMYT1STAT6BTKSTK10SLK
SCHEMBL30206027 0.91 BTK (0.40) PKMYT1CSF1RSTAT6BTKJAK2
SCHEMBL30206259 0.90 PKMYT1 (0.40) PKMYT1STAT6BTKMAPTGAA

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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