SCHEMBL28414191

SCHEMBL28414191

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)nc1)nn2CC(=O)Nc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.50
▸ ITK Q08881 4/20 0.49
▸ JAK3 P52333 3/20 0.49
▸ LCK P06239 3/20 0.49
▸ FGR P09769 3/20 0.49
▸ FLT3 P36888 3/20 0.49
▸ EGFR P00533 2/20 0.49
▸ CSK P41240 2/20 0.49
▸ BLK P51451 2/20 0.49
▸ PIK3CD O00329 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ MTOR P42345 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ FYN P06241 2/20 0.46
▸ YES1 P07947 2/20 0.46
▸ LYN P07948 2/20 0.46
▸ HCK P08631 2/20 0.46

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
SCHEMBL28407364 0.93 BTK (0.48) BTKITKJAK3LCKFGR
SCHEMBL28890945 0.91 BTK (0.59) BTKITKJAK3LCKFGR
SCHEMBL28407416 0.89 BTK (0.53) BTKITKJAK3LCKFGR
SCHEMBL28407374 0.87 BTK (0.58) BTKITKJAK3LCKFGR
SCHEMBL28407414 0.87 BTK (0.49) BTKITKJAK3LCKFGR
SCHEMBL28403789 0.86 BTK (0.50) BTKITKJAK3LCKFGR
SCHEMBL28403345 0.86 BTK (0.53) BTKITKJAK3LCKFGR
SCHEMBL28409197 0.85 BTK (0.54) BTKITKJAK3LCKFGR
SCHEMBL28409178 0.84 BTK (0.51) BTKITKJAK3LCKFGR
SCHEMBL28403856 0.84 BTK (0.51) BTKITKJAK3LCKFGR

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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