SCHEMBL24944179

SCHEMBL24944179

CNc1nc(Nc2cc(C)nc(OC)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.33
▸ EML4 Q9HC35 5/20 0.32
▸ ALK Q9UM73 5/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ RET P07949 1/20 0.31
▸ ROS1 P08922 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ MAPK3 P27361 1/20 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
SCHEMBL30205755 1.00 LRRK2 (0.33) LRRK2EML4ALKTYK2RET
SCHEMBL31195396 0.93 SYK (0.31) LRRK2SYKMAPK3
SCHEMBL30205499 0.92 TYK2 (0.37) LRRK2EML4ALKTYK2SYK
SCHEMBL24944982 0.92 TYK2 (0.37) LRRK2EML4ALKTYK2SYK
SCHEMBL30205684 0.91 SYK (0.31) EML4ALKSYK
SCHEMBL24944445 0.91 SYK (0.31) EML4ALKSYK
SCHEMBL24943808 0.89 EML4 (0.33) LRRK2EML4ALKRETROS1
SCHEMBL30205492 0.89 EML4 (0.33) LRRK2EML4ALKRETROS1
SCHEMBL29173474 0.86 HPGD (0.32) TYK2
SCHEMBL30205968 0.86 HPGD (0.32) TYK2

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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