SCHEMBL31577281

SCHEMBL31577281

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 2/20 0.41
▸ GAA P10253 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 2/20 0.37
▸ POLB P06746 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL31577293 0.90 RPS6KA5 (0.41) RPS6KA5GAAKDM4EALDH1A1POLB
SCHEMBL31577393 0.77 TP53 (0.31) POLBTP53
SCHEMBL31577326 0.76 RPS6KA5 (0.37) RPS6KA5KDM4EALDH1A1POLBSMN1; SMN2
SCHEMBL31577303 0.76 JAK2 (0.32) SMN1; SMN2MAPTTP53JAK2JAK3
SCHEMBL31577284 0.74 LRRK2 (0.41) JAK2JAK3
SCHEMBL31577339 0.73 BMI1 (0.37) KDM4EPOLBMEN1KMT2AGSK3B
SCHEMBL31577350 0.73 AOC3 (0.37) SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL31577344 0.73 BRD4 (0.30) —
SCHEMBL31577323 0.71 NAMPT (0.30) —
SCHEMBL29173416 0.70 YTHDC1 (0.33) —

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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