SCHEMBL28887535

SCHEMBL28887535

C=CC(=O)Nc1ccc(CN2CCc3c(C)nc(Nc4ccc(N5CCOCC5)cc4)nc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 7/20 0.57
▸ JAK2 O60674 5/20 0.53
▸ JAK1 P23458 5/20 0.53
▸ TYK2 P29597 2/20 0.53
▸ TTK P33981 1/20 0.49
▸ STAT6 P42226 1/20 0.49
▸ EGFR P00533 6/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ BLK P51451 1/20 0.49
▸ BTK Q06187 6/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ FGFR2 P21802 1/20 0.47
▸ FGFR4 P22455 1/20 0.47
▸ FGFR3 P22607 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
SCHEMBL28887550 0.91 JAK3 (0.57) JAK3JAK2JAK1TYK2TTK
SCHEMBL28887539 0.88 EGFR (0.45) JAK3JAK2JAK1TYK2TTK
SCHEMBL28887591 0.87 STAT6 (0.49) JAK3JAK2JAK1TYK2STAT6
SCHEMBL28887513 0.84 JAK3 (0.56) JAK3JAK2JAK1TTKEGFR
SCHEMBL29523248 0.83 JAK3 (0.53) JAK3JAK2JAK1TYK2STAT6
SCHEMBL28887501 0.83 JAK3 (0.56) JAK3JAK2JAK1TYK2TTK
SCHEMBL29127336 0.83 STAT6 (0.54) JAK3JAK2JAK1TYK2STAT6
SCHEMBL28887562 0.80 JAK3 (0.51) JAK3JAK2JAK1TYK2TTK
SCHEMBL29127334 0.80 JAK3 (0.39) JAK3EGFRBTKFGFR1FGFR2
SCHEMBL28887553 0.80 JAK3 (0.47) JAK3JAK2JAK1TYK2TTK

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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