SCHEMBL27028705

SCHEMBL27028705

COc1cc(O)c(C)cc1-n1nc(C)c2cnc(-c3cnn4cccnc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 14/20 0.37
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ TYK2 P29597 3/20 0.36
▸ JAK3 P52333 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PLK1 P53350 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ IRAK1 P51617 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
SCHEMBL29958609 1.00 IRAK4 (0.37) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL27028692 0.92 JAK2 (0.43) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL27028655 0.92 IRAK4 (0.35) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29958641 0.88 PLK1 (0.39) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL27028713 0.88 PLK1 (0.39) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL27028684 0.86 IRAK4 (0.42) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL27028587 0.85 IRAK4 (0.36) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL27030968 0.85 IRAK4 (0.47) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29829699 0.85 IRAK4 (0.47) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29829062 0.85 PLK1 (0.39) IRAK4JAK2JAK1TYK2JAK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4308122-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-01-24 — — EP claimed
CN-116981459-A Heterocyclic derivatives as janus kinase inhibitors 奇斯药制品公司 2023-10-31 — — CN claimed
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