SCHEMBL31577326

SCHEMBL31577326

CNc1ncc(C(N)=O)nc1-c1nc2ccncc2n1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 3/20 0.37
▸ POLB P06746 1/20 0.35
▸ BMPR2 Q13873 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ AOC3 Q16853 3/20 0.33
▸ KIT P10721 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SIRT3 Q9NTG7 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MC4R P32245 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ MC3R P41968 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ NPC1 O15118 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
SCHEMBL31577293 0.81 RPS6KA5 (0.41) RPS6KA5POLBBMPR2ATMMEN1
SCHEMBL31577281 0.76 RPS6KA5 (0.41) RPS6KA5POLBATMMEN1KMT2A
SCHEMBL31577339 0.71 BMI1 (0.37) POLBMEN1KMT2ATDP1KDM4E
SCHEMBL31577323 0.71 NAMPT (0.30) BMPR2NAMPTCHEK2
SCHEMBL30802785 0.70 IKBKB (0.33) —
SCHEMBL29173707 0.70 IKBKB (0.33) —
SCHEMBL31577359 0.69 BUB1 (0.33) —
SCHEMBL2221067 0.68 NNMT (0.40) KITFLT3KDM4ESMN1; SMN2ADORA3
Formic Acid SCHEMBL30205937 0.67 IKBKB (0.31) —
Formic Acid SCHEMBL30206200 0.67 IKBKB (0.31) —

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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