SCHEMBL29173290

SCHEMBL29173290

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MLKL Q8NB16 1/20 0.37
▸ EML4 Q9HC35 7/20 0.33
▸ ALK Q9UM73 7/20 0.33
▸ RET P07949 6/20 0.33
▸ ROS1 P08922 6/20 0.33
▸ FLT3 P36888 6/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ BRAF P15056 1/20 0.31

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
SCHEMBL30205576 0.89 EML4 (0.32) EML4ALKRETROS1FLT3
SCHEMBL29173449 0.89 BRD4 (0.32) EML4ALKRETROS1FLT3
SCHEMBL24944970 0.87 LCK (0.40) EML4ALKRETROS1FLT3
SCHEMBL24943828 0.86 CDK2 (0.37) SYK
SCHEMBL30206306 0.85 EML4 (0.33) EML4ALKRETROS1FLT3
SCHEMBL24944980 0.85 JAK3 (0.32) EML4ALKRETROS1FLT3
SCHEMBL24943847 0.85 EML4 (0.32) EML4ALKRETROS1FLT3
SCHEMBL29173296 0.85 EML4 (0.33) EML4ALKRETROS1FLT3
SCHEMBL30205538 0.85 JAK3 (0.32) EML4ALKRETROS1FLT3
Hydrochloric Acid SCHEMBL30206015 0.85 EML4 (0.33) EML4ALKRETROS1FLT3

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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