SCHEMBL28503534

SCHEMBL28503534

CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c(C#N)c2N)C1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.56
EGFR P00533 3/20 0.52
SRC P12931 1/20 0.52

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
SCHEMBL28503533 1.00 BTK (0.56) BTKEGFRSRC
SCHEMBL15756452 0.95 BTK (0.57) BTKEGFRSRC
SCHEMBL15756453 0.95 BTK (0.57) BTKEGFRSRC
SCHEMBL19573625 0.95 BTK (0.56) BTKEGFRSRC
SCHEMBL17157112 0.90 BTK (0.58) BTKEGFRSRC
SCHEMBL25060477 0.88 BTK (0.48) BTKEGFR
SCHEMBL28702667 0.87 GPR119 (0.48) BTKEGFRSRC
SCHEMBL20370863 0.86 BTK (0.55) BTKEGFRSRC
SCHEMBL20411963 0.86 BTK (0.52) BTKEGFRSRC
SCHEMBL15472786 0.86 BTK (0.57) BTK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105884747-B Preparation method for preparing Bruton's Tyrosine Kinase (BTK) kinase inhibitor 首药控股(北京)有限公司 2021-01-05 CN disclosed