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Sugi Predict / Compounds / SCHEMBL28568488

SCHEMBL28568488

SCHEMBL28568488

CC(C)(C)OC(=O)N1CC(N2CCC(n3nc(-c4ccc(Oc5ccc(F)cc5F)cc4)c(C(N)=O)c3N)CC2)C1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.66
▸ SRC P12931 6/20 0.65
▸ EGFR P00533 7/20 0.64
▸ BMX P51813 1/20 0.62
▸ NR4A3 Q92570 1/20 0.62

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
SCHEMBL28567975 0.99 BTK (0.64) BTKSRCEGFRBMXNR4A3
SCHEMBL29535945 0.85 BTK (0.65) BTKSRCEGFRBMXNR4A3
SCHEMBL28568473 0.84 BTK (0.66) BTKSRCEGFRBMXNR4A3
SCHEMBL28574332 0.82 BTK (0.69) BTKSRCEGFRBMXNR4A3
SCHEMBL24413606 0.81 BTK (0.75) BTKSRCEGFRBMXNR4A3
SCHEMBL19636166 0.81 BTK (0.82) BTKSRCEGFRBMXNR4A3
SCHEMBL28580150 0.80 BTK (0.63) BTKSRCEGFR
SCHEMBL19635984 0.79 BTK (0.91) BTKSRCEGFRBMXNR4A3
SCHEMBL17157133 0.79 BTK (1.00) BTKSRCEGFR
SCHEMBL17173966 0.79 BTK (1.00) BTKSRCEGFR

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-112812100-B Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2022-04-05 — — CN disclosed
CN-112812100-A Compound capable of degrading BTK kinase, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2021-05-18 — — CN disclosed