SCHEMBL24944456

SCHEMBL24944456

Cn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(CN5CCCC5)cc4)nc3C3CC3)cncc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ SYK P43405 2/20 0.38
▸ JAK3 P52333 4/20 0.36
▸ FLT3 P36888 7/20 0.36
▸ EGFR P00533 4/20 0.35
▸ LCK P06239 4/20 0.35
▸ BTK Q06187 1/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ EML4 Q9HC35 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ PDGFRA P16234 2/20 0.35
▸ MELK Q14680 1/20 0.35

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
SCHEMBL30205520 1.00 IKBKE (0.38) IKBKETBK1SYKJAK3FLT3
SCHEMBL24944990 0.95 IKBKE (0.44) IKBKETBK1SYKFLT3EGFR
SCHEMBL30205756 0.95 IKBKE (0.44) IKBKETBK1SYKFLT3EGFR
SCHEMBL29173589 0.92 FLT3 (0.36) SYKFLT3CCNCCDK8PDGFRA
SCHEMBL24944172 0.89 TBK1 (0.39) IKBKETBK1SYKFLT3BTK
Formic Acid SCHEMBL30205666 0.86 TBK1 (0.37) IKBKETBK1SYKFLT3BTK
SCHEMBL29173673 0.86 FLT3 (0.39) IKBKETBK1FLT3MELK
SCHEMBL24944415 0.84 BTK (0.37) SYKJAK3FLT3EGFRLCK
SCHEMBL30206104 0.84 BTK (0.37) SYKJAK3FLT3EGFRLCK
SCHEMBL24943840 0.84 IKBKE (0.46) IKBKETBK1SYKFLT3EML4

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 3 patents. 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 claimed
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
WO-2023001794-A1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2023-01-26 — — WO disclosed
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