SCHEMBL28887524

SCHEMBL28887524

C=CC(=O)Nc1cccc(CN2CCc3c(C)nc(Nc4cnn(CC(=O)N(C)C)c4)nc32)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.59
▸ JAK2 O60674 4/20 0.52
▸ JAK1 P23458 4/20 0.52
▸ TTK P33981 3/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ EGFR P00533 4/20 0.44
▸ BTK Q06187 2/20 0.44
▸ TNK2 Q07912 1/20 0.43

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
SCHEMBL28887516 0.92 JAK3 (0.50) JAK3JAK2JAK1
SCHEMBL28887529 0.91 JAK3 (0.52) JAK3JAK2JAK1TTKTYK2
SCHEMBL28887565 0.91 JAK3 (0.51) JAK3JAK2JAK1TYK2EGFR
SCHEMBL28887566 0.90 EGFR (0.54) JAK3JAK2JAK1TTKTYK2
SCHEMBL28887608 0.89 JAK3 (0.59) JAK3JAK2JAK1TTKTYK2
SCHEMBL28887519 0.88 JAK3 (0.46) JAK3JAK2JAK1
SCHEMBL28887510 0.88 JAK3 (0.58) JAK3JAK2JAK1TTKEGFR
SCHEMBL29523539 0.87 JAK3 (0.44) JAK3JAK2JAK1TYK2
SCHEMBL28887538 0.83 JAK3 (0.42) JAK3JAK2JAK1
SCHEMBL28887569 0.82 JAK3 (0.53) JAK3JAK2JAK1TTKTYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292274-B Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2023-12-19 — — CN claimed
CN-114292274-A Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2022-04-08 — — CN claimed
CN-114292274-B Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2023-12-19 — — CN disclosed
CN-114292274-A Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2022-04-08 — — CN disclosed
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