SCHEMBL28887513

SCHEMBL28887513

C=CC(=O)Nc1ccc(CN2CCc3c(C)nc(Nc4cnn(C)c4)nc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.56
▸ JAK1 P23458 5/20 0.50
▸ JAK2 O60674 4/20 0.47
▸ TTK P33981 1/20 0.47
▸ BTK Q06187 4/20 0.44
▸ EGFR P00533 2/20 0.44
▸ MAP3K7 O43318 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44
▸ FGFR1 P11362 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ FGFR4 P22455 1/20 0.42
▸ FGFR3 P22607 1/20 0.42

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
SCHEMBL28887562 0.91 JAK3 (0.51) JAK3JAK1JAK2TTKBTK
SCHEMBL28887526 0.90 JAK3 (0.51) JAK3JAK1JAK2TTK
SCHEMBL28887510 0.90 JAK3 (0.58) JAK3JAK1JAK2TTKBTK
SCHEMBL28887484 0.89 EGFR (0.48) JAK3JAK1JAK2TTKEGFR
SCHEMBL28887600 0.89 JAK3 (0.59) JAK3JAK1JAK2TTKBTK
SCHEMBL28887565 0.87 JAK3 (0.51) JAK3JAK1JAK2BTKEGFR
SCHEMBL28887536 0.86 JAK2 (0.41) JAK3JAK1JAK2
SCHEMBL28887535 0.84 JAK3 (0.57) JAK3JAK1JAK2TTKBTK
SCHEMBL28887514 0.82 JAK3 (0.46) JAK3JAK1JAK2TTKBTK
SCHEMBL28887507 0.82 JAK2 (0.41) JAK3JAK1JAK2

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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