SCHEMBL29079617

SCHEMBL29079617

O=C(Nc1cn(C2CCC(C(=O)O)CC2)nc1C(F)F)c1c(C2COCCN2)nn2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.41
▸ JAK1 P23458 19/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL29079610 0.92 JAK2 (0.41) JAK2JAK1IRAK4
SCHEMBL29079595 0.92 JAK2 (0.48) JAK2JAK1IRAK4
SCHEMBL29079627 0.91 JAK2 (0.42) JAK2JAK1IRAK4
SCHEMBL29079634 0.84 JAK2 (0.37) JAK2JAK1IRAK4
SCHEMBL25162926 0.74 JAK2 (0.46) JAK2JAK1IRAK4
SCHEMBL29079557 0.74 KCNQ3 (0.34) —
SCHEMBL25162694 0.72 JAK2 (0.45) JAK2JAK1
SCHEMBL31211966 0.70 JAK2 (0.39) JAK2JAK1IRAK4
SCHEMBL30393484 0.69 JAK2 (0.48) JAK2JAK1IRAK4
SCHEMBL30392921 0.68 JAK2 (0.38) JAK2JAK1IRAK4

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
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
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