SCHEMBL28887542

SCHEMBL28887542

C/C=C/C(=O)Nc1cccc(CN2CCc3c(C)nc(Nc4cnn(CCOC)c4)nc32)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.53
▸ JAK1 P23458 13/20 0.53
▸ JAK2 O60674 10/20 0.53
▸ TYK2 P29597 4/20 0.50
▸ AURKA O14965 1/20 0.50
▸ TTK P33981 1/20 0.50
▸ EGFR P00533 1/20 0.47
▸ BTK Q06187 1/20 0.47

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
SCHEMBL28887548 0.92 JAK3 (0.51) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887559 0.91 JAK3 (0.58) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887569 0.90 JAK3 (0.53) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28959068 0.90 JAK3 (0.54) JAK3JAK1JAK2TTKEGFR
SCHEMBL28887532 0.88 JAK3 (0.49) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887516 0.87 JAK3 (0.50) JAK3JAK1JAK2
SCHEMBL28887601 0.84 JAK1 (0.55) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887608 0.84 JAK3 (0.59) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887600 0.83 JAK3 (0.59) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887514 0.83 JAK3 (0.46) JAK3JAK1JAK2TYK2TTK

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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