SCHEMBL29173574

SCHEMBL29173574

CNc1ncc(-c2cncc3c2ncn3C)nc1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 10/20 0.37
▸ CHUK O15111 4/20 0.33
▸ MAP2K3 P46734 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ YTHDC1 Q96MU7 2/20 0.33
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ EIF4EBP1 Q13541 1/20 0.30

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
SCHEMBL30206286 0.90 EIF4EBP1 (0.37) IKBKBCHUKYTHDC1PDE4APDE4B
SCHEMBL29173737 0.80 IKBKB (0.32) IKBKBCHUKYTHDC1PDE4APDE4B
SCHEMBL30802785 0.80 IKBKB (0.33) IKBKBCHUKYTHDC1PDE4APDE4B
SCHEMBL29173707 0.80 IKBKB (0.33) IKBKBCHUKYTHDC1PDE4APDE4B
SCHEMBL29173564 0.79 IKBKB (0.34) IKBKBCHUKYTHDC1PDE4APDE4B
SCHEMBL24944752 0.79 EML4 (0.44) SYK
SCHEMBL30206189 0.78 CCNC (0.36) —
SCHEMBL24943828 0.77 CDK2 (0.37) IKBKBCHUKSYK
Formic Acid SCHEMBL30206200 0.76 IKBKB (0.31) IKBKBCHUKYTHDC1SYK
Formic Acid SCHEMBL30205937 0.76 IKBKB (0.31) IKBKBCHUKYTHDC1SYK

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
Send feedback