SCHEMBL22296402

SCHEMBL22296402

C=CC(=O)N1CCCC(Nc2nc(Nc3ccc(N4CCN(C5COC5)CC4C)cc3)c(C(N)=O)c(C)c2F)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.60
▸ EGFR P00533 13/20 0.60
▸ JAK3 P52333 2/20 0.45
▸ BMX P51813 1/20 0.44

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
SCHEMBL22296238 0.91 BTK (0.72) BTKEGFRJAK3BMX
SCHEMBL22296205 0.89 BTK (0.58) BTKEGFRJAK3
SCHEMBL22296416 0.87 BTK (0.58) BTKEGFRJAK3BMX
SCHEMBL23865960 0.85 BTK (0.70) BTKEGFR
SCHEMBL22296211 0.84 BTK (0.67) BTKEGFRJAK3
SCHEMBL22222658 0.83 BTK (0.85) BTKEGFR
SCHEMBL22296415 0.82 BTK (0.67) BTKEGFRJAK3
SCHEMBL22296210 0.82 BTK (0.67) BTKEGFRJAK3
SCHEMBL23866197 0.82 BTK (0.72) BTKEGFRJAK3BMX
SCHEMBL23866046 0.82 BTK (0.72) BTKEGFRJAK3BMX

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
EP-3689871-B1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2021-09-29 — — EP disclosed
EP-3689871-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2020-08-05 — — EP disclosed
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