SCHEMBL31577293

SCHEMBL31577293

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 3/20 0.41
▸ ATM Q13315 1/20 0.36
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ BMPR2 Q13873 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MAP2K3 P46734 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ LCK P06239 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ SIRT3 Q9NTG7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32

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
SCHEMBL31577281 0.90 RPS6KA5 (0.41) RPS6KA5ATMMEN1KMT2APOLB
SCHEMBL31577326 0.81 RPS6KA5 (0.37) RPS6KA5ATMMEN1KMT2APOLB
SCHEMBL31577339 0.78 BMI1 (0.37) MEN1KMT2APOLBGSK3BCHEK2
SCHEMBL31577323 0.77 NAMPT (0.30) BMPR2NAMPTCHEK2TYK2
SCHEMBL31577359 0.76 BUB1 (0.33) —
SCHEMBL31577363 0.72 AOC3 (0.37) TYK2
SCHEMBL18691789 0.71 TP53 (0.39) ATMMEN1KMT2AGSK3BSMN1; SMN2
SCHEMBL29173737 0.70 IKBKB (0.32) —
SCHEMBL31577393 0.69 TP53 (0.31) POLBTP53
SCHEMBL25080568 0.65 KDM4E (0.41) ATMMEN1KMT2ASMN1; SMN2TDP1

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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