SCHEMBL28959068

SCHEMBL28959068

C/C=C/C(=O)Nc1cccc(CN2CCc3c(C)nc(Nc4cnn(C)c4)nc32)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.54
▸ JAK1 P23458 7/20 0.54
▸ JAK2 O60674 4/20 0.48
▸ TTK P33981 1/20 0.46
▸ ACKR3 P25106 1/20 0.42
▸ BTK Q06187 2/20 0.41
▸ EGFR P00533 2/20 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
SCHEMBL28887548 0.92 JAK3 (0.51) JAK3JAK1JAK2TTKACKR3
SCHEMBL28887510 0.91 JAK3 (0.58) JAK3JAK1JAK2TTKBTK
SCHEMBL28887526 0.90 JAK3 (0.51) JAK3JAK1JAK2TTK
SCHEMBL28887569 0.90 JAK3 (0.53) JAK3JAK1JAK2TTKACKR3
SCHEMBL28887542 0.90 JAK3 (0.53) JAK3JAK1JAK2TTKBTK
SCHEMBL28887516 0.88 JAK3 (0.50) JAK3JAK1JAK2ACKR3
SCHEMBL28959093 0.86 JAK3 (0.43) JAK3JAK1JAK2TTKACKR3
SCHEMBL29523236 0.86 JAK3 (0.56) JAK3JAK1JAK2BTKEGFR
SCHEMBL28887501 0.84 JAK3 (0.56) JAK3JAK1JAK2TTKBTK
SCHEMBL28887603 0.82 JAK2 (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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