SCHEMBL29173449

SCHEMBL29173449

CNc1nc(Nc2ccc(NS(=O)(=O)C(C)(C)C)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 13/20 0.32
▸ JAK2 O60674 6/20 0.32
▸ EML4 Q9HC35 5/20 0.32
▸ ALK Q9UM73 5/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ BTK Q06187 1/20 0.30
▸ RET P07949 2/20 0.30
▸ ROS1 P08922 2/20 0.30
▸ FLT3 P36888 2/20 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
SCHEMBL30205547 0.90 EML4 (0.31) EML4ALKJAK3SYKBTK
SCHEMBL29173290 0.89 MLKL (0.37) BRD4EML4ALKSYKRET
SCHEMBL30205698 0.87 BTK (0.34) EML4ALKJAK3SYKBTK
SCHEMBL24944206 0.87 BTK (0.34) EML4ALKJAK3SYKBTK
SCHEMBL24943828 0.86 CDK2 (0.37) JAK2JAK3SYKBTK
SCHEMBL24944457 0.86 EML4 (0.32) EML4ALKSYKBTKRET
SCHEMBL30206306 0.85 EML4 (0.33) JAK2EML4ALKJAK1SYK
SCHEMBL24944980 0.85 JAK3 (0.32) EML4ALKJAK3SYKBTK
SCHEMBL24943847 0.85 EML4 (0.32) EML4ALKSYKRETROS1
SCHEMBL29173296 0.85 EML4 (0.33) EML4ALKSYKRETROS1

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 2 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
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