SCHEMBL29127334

SCHEMBL29127334

C=CC(=O)Nc1ccc(CN2CCc3c(C)nc(Nc4ccc5c(c4)N(O)OC5)nc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.39
▸ FGFR4 P22455 4/20 0.38
▸ FGFR1 P11362 2/20 0.38
▸ FGFR2 P21802 2/20 0.38
▸ FGFR3 P22607 2/20 0.38
▸ EGFR P00533 4/20 0.38
▸ BMX P51813 1/20 0.37
▸ BTK Q06187 3/20 0.35
▸ SRC P12931 1/20 0.34
▸ TEC P42680 1/20 0.34
▸ SLK Q9H2G2 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
SCHEMBL29127343 0.93 JAK3 (0.44) JAK3FGFR4EGFRBTKSRC
SCHEMBL29127332 0.88 PTGDR2 (0.37) BMX
SCHEMBL29127328 0.84 ACKR3 (0.38) JAK3EGFRBTKSRC
SCHEMBL29127337 0.81 BRD4 (0.39) BTK
SCHEMBL28887513 0.81 JAK3 (0.56) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL28887535 0.80 JAK3 (0.57) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL29127340 0.79 JAK2 (0.33) JAK3SRC
SCHEMBL28887562 0.77 JAK3 (0.51) JAK3EGFRBTK
SCHEMBL28887539 0.77 EGFR (0.45) JAK3FGFR4FGFR1FGFR2FGFR3
SCHEMBL28887565 0.75 JAK3 (0.51) JAK3FGFR4FGFR1FGFR2FGFR3

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-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-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
Send feedback