SCHEMBL24944457

SCHEMBL24944457

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 6/20 0.32
▸ ALK Q9UM73 6/20 0.32
▸ SYK P43405 2/20 0.31
▸ BTK Q06187 2/20 0.31
▸ RET P07949 3/20 0.31
▸ ROS1 P08922 3/20 0.31
▸ FLT3 P36888 3/20 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
SCHEMBL29173519 0.91 BTK (0.30) BTK
SCHEMBL30206114 0.91 BTK (0.30) BTK
SCHEMBL24944998 0.88 EML4 (0.35) EML4ALKSYKRETROS1
SCHEMBL30205698 0.88 BTK (0.34) EML4ALKSYKBTKRET
SCHEMBL24944206 0.88 BTK (0.34) EML4ALKSYKBTKRET
SCHEMBL24943828 0.87 CDK2 (0.37) SYKBTK
SCHEMBL30206306 0.86 EML4 (0.33) EML4ALKSYKRETROS1
SCHEMBL29173449 0.86 BRD4 (0.32) EML4ALKSYKBTKRET
Hydrochloric Acid SCHEMBL30206015 0.85 EML4 (0.33) EML4ALKSYKRETROS1
SCHEMBL24944454 0.85 SYK (0.32) EML4ALKSYKBTKRET

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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