SCHEMBL28887516

SCHEMBL28887516

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 18/20 0.50
▸ JAK2 O60674 6/20 0.44
▸ JAK1 P23458 6/20 0.44
▸ ACKR3 P25106 1/20 0.40
▸ IGF1R P08069 1/20 0.39

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
SCHEMBL28887524 0.92 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL28887538 0.91 JAK3 (0.42) JAK3JAK2JAK1IGF1R
SCHEMBL28887569 0.90 JAK3 (0.53) JAK3JAK2JAK1ACKR3
SCHEMBL28887548 0.89 JAK3 (0.51) JAK3JAK2JAK1ACKR3
SCHEMBL28959068 0.88 JAK3 (0.54) JAK3JAK2JAK1ACKR3
SCHEMBL28887519 0.88 JAK3 (0.46) JAK3JAK2JAK1ACKR3IGF1R
SCHEMBL28887542 0.87 JAK3 (0.53) JAK3JAK2JAK1
SCHEMBL29523539 0.87 JAK3 (0.44) JAK3JAK2JAK1IGF1R
SCHEMBL28887529 0.83 JAK3 (0.52) JAK3JAK2JAK1
SCHEMBL28887565 0.83 JAK3 (0.51) JAK3JAK2JAK1IGF1R

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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