SCHEMBL29523248

SCHEMBL29523248

C/C=C/C(=O)Nc1ccc(CN2CCc3c(C)nc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.53
▸ JAK1 P23458 5/20 0.53
▸ FGFR1 P11362 2/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ FGFR4 P22455 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ JAK2 O60674 3/20 0.45
▸ MAP3K7 O43318 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ STAT6 P42226 1/20 0.41
▸ TLR9 Q9NR96 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ BLK P51451 1/20 0.41
▸ TYK2 P29597 1/20 0.41

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
SCHEMBL29523236 0.91 JAK3 (0.56) JAK3JAK1JAK2SRCEGFR
SCHEMBL28887526 0.86 JAK3 (0.51) JAK3JAK1JAK2
SCHEMBL28887501 0.83 JAK3 (0.56) JAK3JAK1JAK2STAT6EGFR
SCHEMBL28887535 0.83 JAK3 (0.57) JAK3JAK1FGFR1FGFR2FGFR4
SCHEMBL28887514 0.82 JAK3 (0.46) JAK3JAK1JAK2TYK2
SCHEMBL28887559 0.80 JAK3 (0.58) JAK3JAK1JAK2MAP3K7EGFR
SCHEMBL28887557 0.80 JAK3 (0.47) JAK3JAK1JAK2EGFR
SCHEMBL28887538 0.79 JAK3 (0.42) JAK3JAK1JAK2
SCHEMBL28887591 0.78 STAT6 (0.49) JAK3JAK1JAK2STAT6FLT3
SCHEMBL28887513 0.76 JAK3 (0.56) JAK3JAK1FGFR1FGFR2FGFR4

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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