SCHEMBL29523014

SCHEMBL29523014

Cc1nc(Nc2cnn(CC(=O)N(C)C)c2)nc2c1CCN2Cc1ccc(NC#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 0.40
▸ PTK2 Q05397 1/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ JAK1 P23458 12/20 0.37
▸ JAK2 O60674 11/20 0.37
▸ TYK2 P29597 2/20 0.37
▸ CYP11B2 P19099 3/20 0.36

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
SCHEMBL29523539 0.91 JAK3 (0.44) IGF1RPTK2JAK3JAK1JAK2
SCHEMBL28887565 0.87 JAK3 (0.51) IGF1RPTK2JAK3JAK1JAK2
SCHEMBL28887607 0.87 HTT (0.41) IGF1RPTK2JAK3JAK1JAK2
SCHEMBL28887538 0.86 JAK3 (0.42) IGF1RPTK2JAK3JAK1JAK2
SCHEMBL28887604 0.86 JAK1 (0.38) JAK3JAK1JAK2TYK2
SCHEMBL28887507 0.84 JAK2 (0.41) JAK3JAK1JAK2TYK2
SCHEMBL28887563 0.83 JAK1 (0.44) IGF1RPTK2JAK3JAK1JAK2
SCHEMBL29522964 0.81 JAK3 (0.39) JAK3JAK1JAK2TYK2
SCHEMBL28887531 0.81 JAK3 (0.39) JAK3JAK1JAK2TYK2
SCHEMBL28887519 0.80 JAK3 (0.46) IGF1RPTK2JAK3JAK1JAK2

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
Send feedback