SCHEMBL31577339

SCHEMBL31577339

CNc1nc(Nc2ccc(OC(F)F)cc2)c(C(N)=O)nc1-c1nc2ccncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMI1 P35226 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ JAK2 O60674 6/20 0.34
▸ JAK1 P23458 6/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PLK1 P53350 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
SCHEMBL31577323 0.79 NAMPT (0.30) TYK2CHEK2
SCHEMBL31577359 0.78 BUB1 (0.33) —
SCHEMBL31577293 0.78 RPS6KA5 (0.41) KDM4EMEN1POLBKMT2ATDP1
SCHEMBL24944459 0.78 JAK3 (0.35) MEN1KMT2AJAK2JAK1GSK3A
SCHEMBL31577393 0.76 TP53 (0.31) POLB
SCHEMBL31577281 0.73 RPS6KA5 (0.41) KDM4EMEN1POLBKMT2AJAK2
SCHEMBL31577326 0.71 RPS6KA5 (0.37) KDM4EMEN1POLBKMT2ATDP1
SCHEMBL31577363 0.71 AOC3 (0.37) TYK2KCNH2
SCHEMBL24944970 0.71 LCK (0.40) MAPK1JAK3PLK1BCDIN3DLCK
SCHEMBL31577344 0.70 BRD4 (0.30) KDR

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
EP-4373817-B1 SUBSTITUTED PYRAZINE-2-CARBOXAMIDES AS HPK1 INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2025-05-21 — — EP disclosed
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