SCHEMBL24944980

SCHEMBL24944980

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

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.32
▸ EML4 Q9HC35 6/20 0.32
▸ ALK Q9UM73 6/20 0.32
▸ RET P07949 3/20 0.32
▸ ROS1 P08922 3/20 0.32
▸ FLT3 P36888 3/20 0.32
▸ AURKA O14965 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ PLK1 P53350 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ BTK Q06187 3/20 0.30
▸ LCK P06239 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
SCHEMBL30205538 1.00 JAK3 (0.32) JAK3EML4ALKRETROS1
SCHEMBL24944970 0.88 LCK (0.40) JAK3EML4ALKRETROS1
SCHEMBL24944758 0.88 BTK (0.34) JAK3EML4ALKRETROS1
SCHEMBL24943847 0.87 EML4 (0.32) EML4ALKRETROS1FLT3
SCHEMBL24944981 0.87 EML4 (0.32) JAK3EML4ALKRETROS1
SCHEMBL24944459 0.87 JAK3 (0.35) JAK3SYKBTKLCK
SCHEMBL24944978 0.86 BTK (0.41) JAK3SYKBTKLCK
SCHEMBL24943828 0.86 CDK2 (0.37) JAK3AURKACCNA2CDK2PLK1
SCHEMBL30206306 0.85 EML4 (0.33) EML4ALKRETROS1FLT3
SCHEMBL29173290 0.85 MLKL (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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