SCHEMBL29414320

SCHEMBL29414320

CN(C/C=C/CN1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1)CCOCCOCCOCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.49
EGFR P00533 3/20 0.44
TEC P42680 3/20 0.44
TXK P42681 2/20 0.44
BMX P51813 2/20 0.44
ERBB2 P04626 1/20 0.44
LCK P06239 1/20 0.44
CYP3A4 P08684 1/20 0.44
FGR P09769 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FRK P42685 1/20 0.44
BLK P51451 1/20 0.44
JAK3 P52333 1/20 0.44
ITK Q08881 1/20 0.44
PTK6 Q13882 1/20 0.44
ERBB4 Q15303 1/20 0.44
GP6 Q9HCN6 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
SCHEMBL28703295 1.00 BTK (0.49) BTKEGFRTECTXKBMX
SCHEMBL22940941 0.93 BTK (0.59) BTKEGFRTECTXKBMX
SCHEMBL22941214 0.86 BTK (0.60) BTKEGFRTECTXKBMX
SCHEMBL22940236 0.86 BTK (0.60) BTKEGFRTECTXKBMX
SCHEMBL29795752 0.86 BTK (0.60) BTKEGFRTECTXKBMX
SCHEMBL22940418 0.86 BTK (0.48) BTKEGFRTECTXKBMX
SCHEMBL29414357 0.84 BTK (0.50) BTKEGFRTECTXKBMX
SCHEMBL28711117 0.84 BTK (0.50) BTKEGFRTECTXKBMX
SCHEMBL24938126 0.81 BTK (0.50) BTKEGFRTECTXKBMX
SCHEMBL24938125 0.81 BTK (0.50) BTKEGFRTECTXKBMX

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-114174299-B Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligand and methods of use 百济神州有限公司 2024-10-25 CN disclosed
CN-114174299-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2022-03-11 CN disclosed