SCHEMBL28887501

SCHEMBL28887501

C/C=C/C(=O)Nc1cccc(CN2CCc3c(C)nc(Nc4ccc(N5CCOCC5)cc4)nc32)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.56
▸ JAK2 O60674 7/20 0.56
▸ TYK2 P29597 2/20 0.56
▸ JAK1 P23458 9/20 0.51
▸ TTK P33981 1/20 0.48
▸ STAT6 P42226 1/20 0.47
▸ BTK Q06187 4/20 0.44
▸ EGFR P00533 2/20 0.43

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 0.92 JAK3 (0.56) JAK3JAK2TYK2JAK1BTK
SCHEMBL28887550 0.92 JAK3 (0.57) JAK3JAK2TYK2JAK1TTK
SCHEMBL28887504 0.89 JAK3 (0.43) JAK3JAK2TYK2JAK1
SCHEMBL28887505 0.87 STAT6 (0.48) JAK3JAK2JAK1TTKSTAT6
SCHEMBL28959068 0.84 JAK3 (0.54) JAK3JAK2JAK1TTKBTK
SCHEMBL28887503 0.84 TAAR1 (0.41) —
SCHEMBL29523248 0.83 JAK3 (0.53) JAK3JAK2TYK2JAK1STAT6
SCHEMBL29127339 0.83 STAT6 (0.52) JAK3JAK2TYK2JAK1STAT6
SCHEMBL28887535 0.83 JAK3 (0.57) JAK3JAK2TYK2JAK1TTK
SCHEMBL29127328 0.82 ACKR3 (0.38) JAK3JAK2TYK2JAK1BTK

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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