SCHEMBL24944785

SCHEMBL24944785

Cn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(CN5CCOCC5)cc4)nc3C(F)F)cncc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.41
▸ CDK8 P49336 2/20 0.41
▸ PDGFRA P16234 6/20 0.41
▸ SYK P43405 1/20 0.41
▸ FLT3 P36888 7/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ TBK1 Q9UHD2 2/20 0.39
▸ IKBKE Q14164 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CDK2 P24941 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
SCHEMBL30206302 1.00 CCNC (0.41) CCNCCDK8PDGFRASYKFLT3
SCHEMBL24943838 0.93 TBK1 (0.46) FLT3TNIKTBK1IKBKE
SCHEMBL30205580 0.93 TBK1 (0.46) FLT3TNIKTBK1IKBKE
SCHEMBL29173544 0.92 CCNC (0.41) CCNCCDK8PDGFRAFLT3EGFR
SCHEMBL30205579 0.90 SYK (0.44) CCNCCDK8PDGFRASYKFLT3
SCHEMBL24944183 0.90 SYK (0.44) CCNCCDK8PDGFRASYKFLT3
SCHEMBL24944972 0.89 EML4 (0.45) SYKFLT3AURKACDK2
SCHEMBL30206232 0.89 EML4 (0.45) SYKFLT3AURKACDK2
SCHEMBL29173605 0.85 IKBKE (0.38) SYKFLT3TBK1IKBKEAURKA
SCHEMBL24944792 0.83 CAMK2D (0.40) CCNCCDK8PDGFRASYKFLT3

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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