SCHEMBL24944756

SCHEMBL24944756

CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2F)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 5/20 0.37
▸ MAPK10 P53779 5/20 0.37
▸ RET P07949 3/20 0.36
▸ ROS1 P08922 3/20 0.36
▸ FLT3 P36888 3/20 0.36
▸ EML4 Q9HC35 3/20 0.36
▸ ALK Q9UM73 3/20 0.36
▸ MAPK8 P45983 2/20 0.35
▸ SYK P43405 2/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ZAP70 P43403 1/20 0.34
▸ FPR2 P25090 3/20 0.34
▸ LRRK2 Q5S007 4/20 0.33
▸ MAP3K9 P80192 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL30205667 1.00 MAPK9 (0.37) MAPK9MAPK10RETROS1FLT3
SCHEMBL24944442 0.94 RET (0.37) MAPK9MAPK10RETROS1FLT3
SCHEMBL30206108 0.92 ZAP70 (0.36) MAPK9MAPK10RETROS1FLT3
SCHEMBL29173545 0.92 ZAP70 (0.36) MAPK9MAPK10RETROS1FLT3
SCHEMBL24944164 0.92 RET (0.36) MAPK9MAPK10RETROS1FLT3
SCHEMBL24944367 0.87 MAPK9 (0.48) MAPK9MAPK10RETROS1FLT3
SCHEMBL30205517 0.87 MAPK9 (0.48) MAPK9MAPK10RETROS1FLT3
SCHEMBL24943794 0.86 RET (0.38) MAPK9MAPK10RETROS1FLT3
SCHEMBL24943800 0.86 SYK (0.46) MAPK9MAPK10RETROS1FLT3
SCHEMBL30205536 0.86 SYK (0.46) MAPK9MAPK10RETROS1FLT3

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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