SCHEMBL28887510

SCHEMBL28887510

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

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.58
▸ JAK2 O60674 4/20 0.57
▸ JAK1 P23458 4/20 0.57
▸ TTK P33981 1/20 0.57
▸ BTK Q06187 3/20 0.51
▸ EGFR P00533 2/20 0.51

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
SCHEMBL28887608 0.91 JAK3 (0.59) JAK3JAK2JAK1TTKBTK
SCHEMBL28959068 0.91 JAK3 (0.54) JAK3JAK2JAK1TTKBTK
SCHEMBL28887513 0.90 JAK3 (0.56) JAK3JAK2JAK1TTKBTK
SCHEMBL28887566 0.89 EGFR (0.54) JAK3JAK2JAK1TTKBTK
SCHEMBL28887529 0.89 JAK3 (0.52) JAK3JAK2JAK1TTKEGFR
SCHEMBL28887524 0.88 JAK3 (0.59) JAK3JAK2JAK1TTKBTK
SCHEMBL28959093 0.87 JAK3 (0.43) JAK3JAK2JAK1TTK
SCHEMBL17209928 0.86 JAK3 (0.66) JAK3JAK2JAK1TTKBTK
SCHEMBL28887550 0.84 JAK3 (0.57) JAK3JAK2JAK1TTKBTK
SCHEMBL28887603 0.83 JAK2 (0.51) JAK3JAK2JAK1TTK

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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