SCHEMBL28887553

SCHEMBL28887553

C=CC(=O)Nc1cccc(CN2CCc3c(C)nc(Nc4ccccc4N4CCOCC4)nc32)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.47
▸ JAK2 O60674 5/20 0.45
▸ JAK1 P23458 4/20 0.45
▸ TTK P33981 2/20 0.45
▸ EGFR P00533 4/20 0.43
▸ BTK Q06187 2/20 0.42
▸ TYK2 P29597 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
SCHEMBL28887504 0.92 JAK3 (0.43) JAK3JAK2JAK1TYK2
SCHEMBL28887539 0.92 EGFR (0.45) JAK3JAK2JAK1TTKEGFR
SCHEMBL28887550 0.89 JAK3 (0.57) JAK3JAK2JAK1TTKEGFR
SCHEMBL28887598 0.85 HPGD (0.41) JAK3JAK2
SCHEMBL28887510 0.81 JAK3 (0.58) JAK3JAK2JAK1TTKEGFR
SCHEMBL28887501 0.81 JAK3 (0.56) JAK3JAK2JAK1TTKEGFR
SCHEMBL28887535 0.80 JAK3 (0.57) JAK3JAK2JAK1TTKEGFR
SCHEMBL28887608 0.79 JAK3 (0.59) JAK3JAK2JAK1TTKEGFR
SCHEMBL29127343 0.79 JAK3 (0.44) JAK3JAK2JAK1TTKEGFR
SCHEMBL28887528 0.77 STAT6 (0.44) JAK2JAK1TTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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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