SCHEMBL24944974

SCHEMBL24944974

CNc1nc(Nc2ccnc(C)c2)c(C(N)=O)nc1-c1cncc2c1ncn2C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.34
▸ EML4 Q9HC35 3/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ SYK P43405 4/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ GRM5 P41594 3/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ PDPK1 O15530 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ DYRK3 O43781 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ RPS6KA5 O75582 1/20 0.31

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
Formic Acid SCHEMBL30205522 0.97 AURKA (0.33) ALKEML4RPS6KB1AURKAAURKB
Formic Acid SCHEMBL29173295 0.97 AURKA (0.33) ALKEML4RPS6KB1AURKAAURKB
SCHEMBL30205499 0.91 TYK2 (0.37) ALKEML4SYKTYK2LRRK2
SCHEMBL24944982 0.91 TYK2 (0.37) ALKEML4SYKTYK2LRRK2
SCHEMBL29173658 0.91 BUB1 (0.34) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL24943808 0.89 EML4 (0.33) ALKEML4RPS6KB1AURKAAURKB
SCHEMBL30205492 0.89 EML4 (0.33) ALKEML4RPS6KB1AURKAAURKB
SCHEMBL24943828 0.87 CDK2 (0.37) AURKAAURKBSYKPDPK1JAK2
SCHEMBL24944179 0.86 LRRK2 (0.33) ALKEML4SYKRETROS1
SCHEMBL30205755 0.86 LRRK2 (0.33) ALKEML4SYKRETROS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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