SCHEMBL29173604

SCHEMBL29173604

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.41
▸ EGFR P00533 1/20 0.40
▸ PKMYT1 Q99640 5/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ SRC P12931 2/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ BTK Q06187 1/20 0.39
▸ INSR P06213 2/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ PTK2B Q14289 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL30206183 1.00 PTK2 (0.41) PTK2EGFRPKMYT1FGFR1SRC
SCHEMBL30206027 0.93 BTK (0.40) PTK2PKMYT1BTKMAPTMAPK1
SCHEMBL29173536 0.93 BTK (0.40) PTK2PKMYT1BTKMAPTMAPK1
SCHEMBL30206034 0.93 PKMYT1 (0.40) PTK2EGFRPKMYT1BTKMAPT
SCHEMBL29173612 0.93 PKMYT1 (0.40) PTK2EGFRPKMYT1BTKMAPT
SCHEMBL30206236 0.92 PKMYT1 (0.40) PTK2EGFRPKMYT1BTKMAPT
SCHEMBL29173689 0.92 PKMYT1 (0.40) PKMYT1BTKALKMAPTMAPK1
SCHEMBL30206259 0.92 PKMYT1 (0.40) PKMYT1BTKALKMAPTMAPK1
SCHEMBL29173355 0.92 PKMYT1 (0.40) PTK2EGFRPKMYT1BTKMAPT
SCHEMBL24944946 0.91 EML4 (0.46) PTK2PKMYT1FGFR1SRCALK

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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