SCHEMBL24944174

SCHEMBL24944174

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 10/20 0.52
▸ FLT3 P36888 8/20 0.52
▸ EML4 Q9HC35 8/20 0.52
▸ RET P07949 6/20 0.52
▸ ROS1 P08922 6/20 0.52
▸ MAPK10 P53779 3/20 0.49
▸ MAPK8 P45983 2/20 0.49
▸ MAPK9 P45984 2/20 0.49
▸ BMPR1B O00238 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ CIT O14578 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ GAK O14976 1/20 0.49
▸ EPHB6 O15197 1/20 0.49
▸ RIPK2 O43353 1/20 0.49
▸ BUB1 O43683 1/20 0.49
▸ SNRNP200 O75643 1/20 0.49
▸ STK16 O75716 1/20 0.49
▸ STK10 O94804 1/20 0.49
▸ MAP4K4 O95819 1/20 0.49

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
SCHEMBL30205561 1.00 ALK (0.52) ALKFLT3EML4RETROS1
SCHEMBL29173341 0.94 ALK (0.44) ALKFLT3EML4RETROS1
SCHEMBL30206110 0.94 ALK (0.44) ALKFLT3EML4RETROS1
SCHEMBL30205536 0.91 SYK (0.46) ALKFLT3EML4RETROS1
SCHEMBL24943800 0.91 SYK (0.46) ALKFLT3EML4RETROS1
SCHEMBL24944157 0.91 EML4 (0.47) ALKFLT3EML4RETROS1
SCHEMBL30205760 0.91 EML4 (0.47) ALKFLT3EML4RETROS1
SCHEMBL24944171 0.89 FLT3 (0.40) ALKFLT3EML4RETROS1
SCHEMBL24944177 0.89 FLT3 (0.42) ALKFLT3EML4RETROS1
SCHEMBL30205556 0.89 FLT3 (0.42) ALKFLT3EML4RETROS1

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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