SCHEMBL29523539

SCHEMBL29523539

Cc1nc(Nc2cnn(CC(=O)N(C)C)c2)nc2c1CCN2Cc1cccc(NC#N)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.44
▸ IGF1R P08069 3/20 0.41
▸ JAK2 O60674 10/20 0.38
▸ JAK1 P23458 9/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ TYK2 P29597 2/20 0.36
▸ CYP11B2 P19099 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
SCHEMBL28887531 0.91 JAK3 (0.39) JAK3JAK2JAK1TYK2
SCHEMBL29522964 0.91 JAK3 (0.39) JAK3JAK2JAK1TYK2
SCHEMBL29523014 0.91 IGF1R (0.40) JAK3IGF1RJAK2JAK1PTK2
SCHEMBL28887519 0.87 JAK3 (0.46) JAK3IGF1RJAK2JAK1PTK2
SCHEMBL28887524 0.87 JAK3 (0.59) JAK3JAK2JAK1TYK2
SCHEMBL28887516 0.87 JAK3 (0.50) JAK3IGF1RJAK2JAK1
SCHEMBL28887556 0.87 JAK1 (0.43) JAK3JAK2JAK1TYK2
SCHEMBL28887603 0.85 JAK2 (0.51) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL28887601 0.84 JAK1 (0.55) JAK3IGF1RJAK2JAK1TYK2
SCHEMBL28887607 0.79 HTT (0.41) JAK3IGF1RJAK2JAK1PTK2

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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