SCHEMBL28887514

SCHEMBL28887514

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 17/20 0.46
▸ JAK1 P23458 15/20 0.46
▸ JAK2 O60674 12/20 0.46
▸ TYK2 P29597 5/20 0.41
▸ TTK P33981 1/20 0.39
▸ BTK Q06187 1/20 0.35

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
SCHEMBL28887559 0.92 JAK3 (0.58) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887557 0.92 JAK3 (0.47) JAK3JAK1JAK2
SCHEMBL28887562 0.91 JAK3 (0.51) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887526 0.91 JAK3 (0.51) JAK3JAK1JAK2TTK
SCHEMBL28887548 0.91 JAK3 (0.51) JAK3JAK1JAK2TYK2TTK
SCHEMBL28887538 0.88 JAK3 (0.42) JAK3JAK1JAK2
SCHEMBL28959064 0.86 JAK1 (0.44) JAK3JAK1JAK2TYK2
SCHEMBL28887604 0.83 JAK1 (0.38) JAK3JAK1JAK2TYK2BTK
SCHEMBL28887484 0.83 EGFR (0.48) JAK3JAK1JAK2TYK2TTK
SCHEMBL29523248 0.82 JAK3 (0.53) JAK3JAK1JAK2TYK2

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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