SCHEMBL28887559

SCHEMBL28887559

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.58
▸ JAK1 P23458 12/20 0.58
▸ JAK2 O60674 7/20 0.58
▸ TYK2 P29597 5/20 0.44
▸ AURKA O14965 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ BTK Q06187 3/20 0.41
▸ EGFR P00533 1/20 0.41
▸ MAP3K7 O43318 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ MAP2K1 Q02750 1/20 0.41

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
SCHEMBL28887600 0.92 JAK3 (0.59) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887514 0.92 JAK3 (0.46) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887542 0.91 JAK3 (0.53) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887557 0.89 JAK3 (0.47) JAK3JAK1JAK2EGFR
SCHEMBL28887526 0.89 JAK3 (0.51) JAK3JAK1JAK2TTK
SCHEMBL28887527 0.87 JAK3 (0.45) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887538 0.86 JAK3 (0.42) JAK3JAK1JAK2
SCHEMBL28887563 0.83 JAK1 (0.44) JAK3JAK1JAK2TYK2
SCHEMBL28887562 0.83 JAK3 (0.51) JAK3JAK1JAK2TYK2AURKA
SCHEMBL28887548 0.83 JAK3 (0.51) JAK3JAK1JAK2TYK2AURKA

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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