SCHEMBL24944177

SCHEMBL24944177

CNc1nc(Nc2ccc(N3CCOCC3)c(C(F)F)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.42
▸ RET P07949 11/20 0.42
▸ ROS1 P08922 11/20 0.42
▸ EML4 Q9HC35 8/20 0.42
▸ ALK Q9UM73 8/20 0.42
▸ SYK P43405 5/20 0.40
▸ AXL P30530 3/20 0.40
▸ ETV6 P41212 3/20 0.40
▸ BMPR1B O00238 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CIT O14578 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ GAK O14976 1/20 0.40
▸ EPHB6 O15197 1/20 0.40
▸ RIPK2 O43353 1/20 0.40
▸ BUB1 O43683 1/20 0.40
▸ SNRNP200 O75643 1/20 0.40
▸ STK16 O75716 1/20 0.40
▸ STK10 O94804 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40

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
SCHEMBL30205556 1.00 FLT3 (0.42) FLT3RETROS1EML4ALK
SCHEMBL29173438 0.92 FLT3 (0.37) FLT3RETROS1EML4ALK
SCHEMBL30206045 0.92 FLT3 (0.37) FLT3RETROS1EML4ALK
SCHEMBL30205536 0.91 SYK (0.46) FLT3RETROS1EML4ALK
SCHEMBL24943800 0.91 SYK (0.46) FLT3RETROS1EML4ALK
SCHEMBL24944157 0.91 EML4 (0.47) FLT3RETROS1EML4ALK
SCHEMBL30205760 0.91 EML4 (0.47) FLT3RETROS1EML4ALK
SCHEMBL24944174 0.89 ALK (0.52) FLT3RETROS1EML4ALK
SCHEMBL30205561 0.89 ALK (0.52) FLT3RETROS1EML4ALK
SCHEMBL24944171 0.89 FLT3 (0.40) FLT3RETROS1EML4ALK

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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