SCHEMBL24944209

SCHEMBL24944209

CNc1nc(Nc2ccc(N3CCS(=O)(=O)CC3)cc2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 5/20 0.44
▸ JAK3 P52333 3/20 0.44
▸ LCK P06239 2/20 0.44
▸ BTK Q06187 2/20 0.44
▸ RET P07949 9/20 0.42
▸ ROS1 P08922 9/20 0.42
▸ FLT3 P36888 9/20 0.42
▸ EML4 Q9HC35 8/20 0.42
▸ ALK Q9UM73 8/20 0.42
▸ AURKA O14965 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCND3 P30281 1/20 0.37
▸ CDK6 Q00534 1/20 0.37

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
SCHEMBL30205569 1.00 SYK (0.44) SYKJAK3LCKBTKRET
SCHEMBL24944782 0.93 RET (0.49) SYKLCKBTKRETROS1
SCHEMBL29173637 0.92 ALDH1A1 (0.39) SYKJAK3LCKBTKFLT3
SCHEMBL30206163 0.92 ALDH1A1 (0.39) SYKJAK3LCKBTKFLT3
SCHEMBL24943791 0.91 EML4 (0.48) SYKJAK3LCKRETROS1
SCHEMBL24944210 0.88 RET (0.40) SYKLCKBTKRETROS1
SCHEMBL30205500 0.88 EML4 (0.36) SYKJAK3LCKBTKRET
SCHEMBL24944378 0.88 EML4 (0.46) SYKJAK3LCKRETROS1
SCHEMBL24945001 0.88 EML4 (0.36) SYKJAK3LCKBTKRET
SCHEMBL30205546 0.87 EML4 (0.36) SYKJAK3LCKBTKRET

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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