SCHEMBL28887526

SCHEMBL28887526

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

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.51
▸ JAK1 P23458 7/20 0.51
▸ JAK2 O60674 3/20 0.42
▸ CCNC P24863 9/20 0.40
▸ CDK8 P49336 9/20 0.40
▸ CDK19 Q9BWU1 1/20 0.40
▸ TTK P33981 1/20 0.38
▸ LMNA P02545 1/20 0.37

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
SCHEMBL28887514 0.91 JAK3 (0.46) JAK3JAK1JAK2TTK
SCHEMBL28887513 0.90 JAK3 (0.56) JAK3JAK1JAK2TTK
SCHEMBL28959068 0.90 JAK3 (0.54) JAK3JAK1JAK2TTK
SCHEMBL28887557 0.89 JAK3 (0.47) JAK3JAK1JAK2
SCHEMBL28887559 0.89 JAK3 (0.58) JAK3JAK1JAK2TTK
SCHEMBL28887538 0.87 JAK3 (0.42) JAK3JAK1JAK2
SCHEMBL29523248 0.86 JAK3 (0.53) JAK3JAK1JAK2
SCHEMBL28887536 0.85 JAK2 (0.41) JAK3JAK1JAK2LMNA
SCHEMBL28887562 0.82 JAK3 (0.51) JAK3JAK1JAK2TTK
SCHEMBL28887507 0.81 JAK2 (0.41) JAK3JAK1JAK2

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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