SCHEMBL28887562

SCHEMBL28887562

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.51
▸ JAK1 P23458 10/20 0.51
▸ JAK2 O60674 7/20 0.51
▸ TYK2 P29597 6/20 0.51
▸ TTK P33981 2/20 0.48
▸ AURKA O14965 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
▸ EGFR P00533 2/20 0.40
▸ TNK2 Q07912 1/20 0.40
▸ BTK Q06187 1/20 0.40

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 0.91 JAK3 (0.59) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887484 0.91 EGFR (0.48) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887514 0.91 JAK3 (0.46) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887513 0.91 JAK3 (0.56) JAK3JAK1JAK2TTKMAP3K7
SCHEMBL28887608 0.91 JAK3 (0.59) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887565 0.88 JAK3 (0.51) JAK3JAK1JAK2TYK2EGFR
SCHEMBL28959064 0.87 JAK1 (0.44) JAK3JAK1JAK2TYK2
SCHEMBL28887604 0.84 JAK1 (0.38) JAK3JAK1JAK2TYK2BTK
SCHEMBL28887559 0.83 JAK3 (0.58) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887526 0.82 JAK3 (0.51) JAK3JAK1JAK2TTK

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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