SCHEMBL28887563

SCHEMBL28887563

COCCn1cc(Nc2nc(C)c3c(n2)N(Cc2ccc(NC#N)cc2)CC3)cn1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 7/20 0.44
▸ JAK3 P52333 7/20 0.44
▸ TYK2 P29597 4/20 0.44
▸ JAK2 O60674 5/20 0.44
▸ IKBKE Q14164 4/20 0.40
▸ TBK1 Q9UHD2 4/20 0.40
▸ IGF1R P08069 5/20 0.38
▸ LRRK2 Q5S007 1/20 0.36
▸ PTK2 Q05397 2/20 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
SCHEMBL28887601 0.90 JAK1 (0.55) JAK1JAK3TYK2JAK2IKBKE
SCHEMBL28887604 0.90 JAK1 (0.38) JAK1JAK3TYK2JAK2IKBKE
SCHEMBL28887507 0.88 JAK2 (0.41) JAK1JAK3TYK2JAK2TBK1
SCHEMBL28887600 0.84 JAK3 (0.59) JAK1JAK3TYK2JAK2
SCHEMBL28887527 0.84 JAK3 (0.45) JAK1JAK3TYK2JAK2LRRK2
SCHEMBL28887559 0.83 JAK3 (0.58) JAK1JAK3TYK2JAK2
SCHEMBL29523014 0.83 IGF1R (0.40) JAK1JAK3TYK2JAK2IGF1R
SCHEMBL28887556 0.80 JAK1 (0.43) JAK1JAK3TYK2JAK2IKBKE
SCHEMBL28887603 0.77 JAK2 (0.51) JAK1JAK3TYK2JAK2TBK1
SCHEMBL29127336 0.76 STAT6 (0.54) JAK1JAK3TYK2JAK2IKBKE

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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