SCHEMBL31577284

SCHEMBL31577284

CNc1nc(Nc2ccc(CN3CCOCC3)cc2F)c(C(=O)OC)nc1-c1nc2ccncc2n1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.41
▸ TGFBR1 P36897 2/20 0.37
▸ AOC3 Q16853 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CSF1R P07333 1/20 0.34

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
SCHEMBL31577350 0.84 AOC3 (0.37) LRRK2AOC3
SCHEMBL29173386 0.81 LRRK2 (0.43) LRRK2JAK2JAK1TYK2JAK3
SCHEMBL30206109 0.81 LRRK2 (0.43) LRRK2JAK2JAK1TYK2JAK3
SCHEMBL31577363 0.75 AOC3 (0.37) AOC3TYK2
SCHEMBL29173398 0.74 LRRK2 (0.40) LRRK2JAK2JAK1TYK2JAK3
SCHEMBL30206021 0.74 LRRK2 (0.40) LRRK2JAK2JAK1TYK2JAK3
SCHEMBL30206025 0.74 ALK (0.36) LRRK2TGFBR1CHEK1EGFRCDK1
SCHEMBL29173326 0.74 ALK (0.36) LRRK2TGFBR1CHEK1EGFRCDK1
SCHEMBL31577281 0.74 RPS6KA5 (0.41) JAK2JAK3
SCHEMBL24944783 0.74 LRRK2 (0.41) LRRK2JAK2JAK1TYK2JAK3

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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