SCHEMBL28407036

SCHEMBL28407036

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)nc1)nn2CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.51
▸ JAK3 P52333 3/20 0.44
▸ ITK Q08881 3/20 0.44
▸ FGR P09769 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ CSK P41240 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ SRC P12931 2/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ PIK3CG P48736 1/20 0.44
▸ PRKDC P78527 1/20 0.44
▸ EGFR P00533 2/20 0.44
▸ LCK P06239 2/20 0.44
▸ RIPK1 Q13546 1/20 0.42

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
SCHEMBL28407419 0.92 BTK (0.59) BTKJAK3ITKFGRFLT3
SCHEMBL28412024 0.90 BTK (0.49) BTKJAK3ITKFGRFLT3
SCHEMBL28409178 0.88 BTK (0.51) BTKJAK3ITKFGRFLT3
SCHEMBL28890944 0.88 BTK (0.56) BTKJAK3ITKSRCPIK3CD
SCHEMBL28407416 0.87 BTK (0.53) BTKJAK3ITKFGRFLT3
SCHEMBL28407374 0.87 BTK (0.58) BTKJAK3ITKFGRFLT3
SCHEMBL28414191 0.85 BTK (0.50) BTKJAK3ITKFGRFLT3
SCHEMBL28403345 0.84 BTK (0.53) BTKJAK3ITKFGRFLT3
SCHEMBL28409197 0.83 BTK (0.54) BTKJAK3ITKFGRFLT3
SCHEMBL28403856 0.82 BTK (0.51) BTKJAK3ITKFGRFLT3

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-111196813-B 1,3, 4-trisubstituted pyrazolopyrimidine compound as well as preparation method and application thereof 山东大学 2021-10-26 — — CN disclosed
CN-111196813-A 1,3, 4-trisubstituted pyrazolopyrimidine compound as well as preparation method and application thereof 山东大学 2020-05-26 — — CN disclosed
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