SCHEMBL28887604

SCHEMBL28887604

Cc1nc(Nc2cnn(CCO)c2)nc2c1CCN2Cc1ccc(NC#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 12/20 0.38
▸ IKBKE Q14164 3/20 0.37
▸ TBK1 Q9UHD2 3/20 0.37
▸ JAK2 O60674 9/20 0.37
▸ JAK3 P52333 9/20 0.37
▸ TYK2 P29597 8/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ BTK Q06187 3/20 0.36
▸ STAT3 P40763 2/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ FGFR3 P22607 1/20 0.34

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
SCHEMBL28887556 0.90 JAK1 (0.43) JAK1IKBKETBK1JAK2JAK3
SCHEMBL28887563 0.90 JAK1 (0.44) JAK1IKBKETBK1JAK2JAK3
SCHEMBL28887507 0.89 JAK2 (0.41) JAK1TBK1JAK2JAK3TYK2
SCHEMBL29523014 0.86 IGF1R (0.40) JAK1JAK2JAK3TYK2
SCHEMBL28959064 0.84 JAK1 (0.44) JAK1JAK2JAK3TYK2IRAK4
SCHEMBL28887562 0.84 JAK3 (0.51) JAK1JAK2JAK3TYK2BTK
SCHEMBL28887514 0.83 JAK3 (0.46) JAK1JAK2JAK3TYK2BTK
SCHEMBL28887601 0.80 JAK1 (0.55) JAK1IKBKETBK1JAK2JAK3
SCHEMBL28887603 0.79 JAK2 (0.51) JAK1TBK1JAK2JAK3TYK2
SCHEMBL29127336 0.78 STAT6 (0.54) JAK1IKBKETBK1JAK2JAK3

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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