SCHEMBL24944436

SCHEMBL24944436

CNc1nc(Nc2cnc(N3CCOCC3)c(C)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 8/20 0.36
▸ ALK Q9UM73 8/20 0.36
▸ RET P07949 7/20 0.35
▸ ROS1 P08922 7/20 0.35
▸ FLT3 P36888 7/20 0.35
▸ SYK P43405 2/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ AXL P30530 2/20 0.33
▸ ETV6 P41212 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCND3 P30281 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ CHEK1 O14757 1/20 0.32

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
SCHEMBL30205483 1.00 EML4 (0.36) EML4ALKRETROS1FLT3
SCHEMBL30205999 0.92 LRRK2 (0.33) BTK
SCHEMBL31577321 0.92 LRRK2 (0.33) BTK
SCHEMBL24943836 0.91 EML4 (0.36) EML4ALKRETROS1FLT3
SCHEMBL24944975 0.91 LRRK2 (0.36) EML4ALKRETROS1FLT3
SCHEMBL24944764 0.90 LRRK2 (0.34) EML4ALKRETROS1FLT3
SCHEMBL30205545 0.90 LRRK2 (0.34) EML4ALKRETROS1FLT3
SCHEMBL24943814 0.90 EML4 (0.40) EML4ALKRETROS1FLT3
SCHEMBL30205776 0.90 EML4 (0.40) EML4ALKRETROS1FLT3
SCHEMBL24944157 0.89 EML4 (0.47) 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 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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