SCHEMBL24944747

SCHEMBL24944747

CSc1nc(Nc2ccc(N3CCOCC3)cc2)c(C(N)=O)nc1-c1cccc2c1ncn2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EML4 Q9HC35 6/20 0.46
▸ ALK Q9UM73 6/20 0.46
▸ RET P07949 6/20 0.42
▸ ROS1 P08922 6/20 0.42
▸ FLT3 P36888 6/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ STAT6 P42226 3/20 0.41
▸ BTK Q06187 2/20 0.41
▸ PKMYT1 Q99640 1/20 0.41
▸ CCNA1 P78396 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ SYK P43405 2/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.38

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
SCHEMBL30205582 1.00 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL30206179 0.93 PIM1 (0.45) EML4ALKAURKASTAT6BTK
SCHEMBL29173628 0.93 PIM1 (0.45) EML4ALKAURKASTAT6BTK
SCHEMBL24944946 0.90 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL30205584 0.90 EML4 (0.45) EML4ALKRETROS1FLT3
SCHEMBL24944736 0.90 EML4 (0.45) EML4ALKRETROS1FLT3
SCHEMBL24944396 0.90 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL24943804 0.90 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL30205573 0.90 EML4 (0.46) EML4ALKRETROS1FLT3
SCHEMBL30206083 0.90 EML4 (0.46) 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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